Cas no 737000-81-6 ((S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE)
(S)-(+)-1-(4-Chlorophenyl)ethyl isothiocyanate is a chiral isothiocyanate derivative characterized by its (S)-(+) enantiomeric form and a 4-chlorophenyl substituent. This compound is primarily utilized in organic synthesis and pharmaceutical research as a versatile building block for the preparation of chiral thioureas, thiazolidines, and other heterocyclic compounds. Its high enantiomeric purity makes it particularly valuable in asymmetric synthesis and medicinal chemistry applications, where stereoselectivity is critical. The presence of the reactive isothiocyanate group enables efficient conjugation with amines or other nucleophiles, facilitating the development of structurally diverse derivatives. The 4-chlorophenyl moiety further enhances its utility in designing bioactive molecules with potential pharmacological properties. Proper handling is required due to its lachrymatory and reactive nature.
737000-81-6 structure
Product Name:(S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE
CAS No:737000-81-6
MF:C9H8ClNS
MW:197.684519767761
CID:891080
PubChem ID:7016320
Update Time:2025-06-07
(S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE Chemical and Physical Properties
Names and Identifiers
-
- (S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE
- 1-chloro-4-[(1S)-1-isothiocyanatoethyl]benzene
- DTXSID30426815
- 737000-81-6
- AKOS025295671
- BP-10934
- DB-236140
-
- MDL： MFCD04039327
- Inchi： 1S/C9H8ClNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m0/s1
- InChI Key： BQJKNZREKDQMQA-ZETCQYMHSA-N
- SMILES： ClC1C=CC(=CC=1)[C@H](C)N=C=S
Computed Properties
- Exact Mass: 197.00700
- Monoisotopic Mass: 197.0065981g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Density: 1,208 g/cm3
- Refractive Index: 1.5950
- PSA: 44.45000
- LogP: 3.50380
- Sensitiveness: Moisture Sensitive
(S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE Security Information
- Hazardous Material transportation number：2810
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： 26-36/37/39
- HazardClass：6.1
- PackingGroup：III
(S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
(S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR322430-1g |
(S)-(+)-1-(4-Chlorophenyl)ethyl isothiocyanate |
737000-81-6 | 1g |
￡118.00 | 2024-07-20 | ||
| A2B Chem LLC | AB55878-1g |
(S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE |
737000-81-6 | 97% | 1g |
$342.00 | 2024-04-19 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L19975-1g |
(S)-(+)-1-(4-Chlorophenyl)ethyl isothiocyanate, 97% |
737000-81-6 | 97% | 1g |
￥1730.00 | 2023-02-25 |
(S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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