Cas no 51230-15-0 (Carbamothioic acid, bis(1-methylethyl)-, S-(phenylmethyl) ester)
51230-15-0 structure
Product Name:Carbamothioic acid, bis(1-methylethyl)-, S-(phenylmethyl) ester
CAS No:51230-15-0
MF:C14H21NOS
MW:251.387642621994
CID:336448
PubChem ID:12874545
Update Time:2025-04-19
Carbamothioic acid, bis(1-methylethyl)-, S-(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
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- Carbamothioic acid, bis(1-methylethyl)-, S-(phenylmethyl) ester
- S-benzyl N,N-di(propan-2-yl)carbamothioate
- SCHEMBL11859462
- DTXSID70512100
- S-Benzyl dipropan-2-ylcarbamothioate
- 51230-15-0
-
- Inchi： 1S/C14H21NOS/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
- InChI Key： ZQRWNVSMSGMKKJ-UHFFFAOYSA-N
- SMILES： S(CC1C=CC=CC=1)C(N(C(C)C)C(C)C)=O
Computed Properties
- Exact Mass: 251.13438547g/mol
- Monoisotopic Mass: 251.13438547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 45.6?2
Carbamothioic acid, bis(1-methylethyl)-, S-(phenylmethyl) ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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