Cas no 29635-94-7 (Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine)

Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine is a derivative of lysine modified with phenylthiohydantoin and phenylthiocarbamyl groups at the epsilon-amino position. This compound is primarily utilized in peptide and protein sequencing, particularly in Edman degradation, where it serves as a stable intermediate for identifying lysine residues. Its key advantages include enhanced stability under sequencing conditions, facilitating accurate residue identification, and improved solubility in organic solvents commonly used in degradation protocols. The phenylthiocarbamyl moiety also aids in selective detection via UV or mass spectrometry, enabling precise analytical characterization. This derivative is valuable in proteomics research for studying post-translational modifications and protein structure-function relationships.

Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine structure

29635-94-7 structure

Product Name:Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine

CAS No:29635-94-7

MF:C₂₀H₂₂N₄OS₂

MW:398.544881343842

MDL:MFCD00151476

CID:239319

PubChem ID:87574786

Update Time:2025-06-07

Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine Chemical and Physical Properties

Names and Identifiers

- Thiourea,N-[4-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]butyl]-N'-phenyl-
- Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine
- 1-[4-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)butyl]-3-phenylthiourea
- Phenylthiohydantoin-(N-phenylthiocarbamyl)-lysine
- PTH-(Nε-PTC)-lysine
- PTH-(Nepsilon-PTC)-lysine
- PTH-(epsilon-ptc)-lysine
- PTH-(epsilon-phenylthiocarbamyl)lysine
- 3-{4-[(4S)-5-OXO-1-PHENYL-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]BUTYL}-1-PHENYLTHIOUREA
- (S)-1-(4-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)butyl)-3-phenylthiourea
- MFCD00151476
- 1-[4-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]butyl]-3-phenylthiourea
- 29635-94-7
- PTH-( epsilon -phenylthiocarbamyl)lysine
- T72245
- Thiourea, N-[4-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]butyl]-N'-phenyl-
- CS-0450648
- AS-73643
- AKOS037647433
- BUPYRERCBPFRFM-KRWDZBQOSA-N
- MDL： MFCD00151476
- Inchi： 1S/C20H22N4OS2/c25-18-17(23-20(27)24(18)16-11-5-2-6-12-16)13-7-8-14-21-19(26)22-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,23,27)(H2,21,22,26)/t17-/m0/s1
- InChI Key： BUPYRERCBPFRFM-KRWDZBQOSA-N
- SMILES： S=C1N(C2C=CC=CC=2)C([C@H](CCCCNC(NC2C=CC=CC=2)=S)N1)=O

Computed Properties

Exact Mass: 398.124
Monoisotopic Mass: 398.124
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 27
Rotatable Bond Count: 7
Complexity: 530
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: 12
XLogP3: 3.7
Topological Polar Surface Area: 121

Experimental Properties

Color/Form: Not determined
Density: 1.33
Melting Point: 162.0 to 166.0 deg-C
Boiling Point: 530.8°C at 760 mmHg
Flash Point: 274.8°C
Refractive Index: 1.7
PSA: 120.58000
LogP: 4.29090
Solubility: Not determined

Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine Security Information

WGK Germany：3
Storage Condition：?20°C

Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.	P0625-1G	Phenylthiohydantoin-(Nε-phenylthiocarbamyl)-lysine	29635-94-7	>98.0%(T)(HPLC)	1g	￥360.00	2024-04-16
TRC	P399440-1mg	Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine	29635-94-7		1mg	$ 50.00	2022-06-03
TRC	P399440-2mg	Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine	29635-94-7		2mg	$ 65.00	2022-06-03
TRC	P399440-10mg	Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine	29635-94-7		10mg	$ 80.00	2022-06-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	P160436-100mg	Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine	29635-94-7	>98.0%(HPLC)(T)	100mg	￥114.90	2023-09-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	P160436-1g	Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine	29635-94-7	>98.0%(HPLC)(T)	1g	￥563.90	2023-09-01
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.	P0625-100MG	Phenylthiohydantoin-(Nε-phenylthiocarbamyl)-lysine	29635-94-7	>98.0%(T)(HPLC)	100mg	￥110.00	2024-04-16
Chemenu	CM416585-1g	Thiourea, N-[4-[(4S)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]butyl]-N'-phenyl-	29635-94-7	95%+	1g	$93	2023-03-07
abcr	AB143384-100 mg	Phenylthiohydantoin-(N-phenylthiocarbamyl)-lysine; .	29635-94-7		100mg	€43.60	2023-05-09
abcr	AB143384-1 g	Phenylthiohydantoin-(N-phenylthiocarbamyl)-lysine; .	29635-94-7		1g	€139.10	2023-05-09