Cas no 57925-52-7 (1,2-Benzenediamine, 4-[(3-chloropropyl)thio]-)
![1,2-Benzenediamine, 4-[(3-chloropropyl)thio]- structure](https://ossimg.kuujia.com/scimg/58000/57925-52-7x500.png)
57925-52-7 structure
Product Name:1,2-Benzenediamine, 4-[(3-chloropropyl)thio]-
CAS No:57925-52-7
MF:C9H13ClN2S
MW:216.730919599533
CID:343760
PubChem ID:21450210
Update Time:2025-04-19
1,2-Benzenediamine, 4-[(3-chloropropyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, 4-[(3-chloropropyl)thio]-
- 4-(3-chloropropylsulfanyl)benzene-1,2-diamine
- 4-[(3-CHLOROPROPYL)SULFANYL]BENZENE-1,2-DIAMINE
- SCHEMBL11745787
- DTXSID00614080
- BBNHCTWVGNLURD-UHFFFAOYSA-N
- 57925-52-7
- 1,2-diamino-4-(3-chloropropylthio)benzene
-
- Inchi： 1S/C9H13ClN2S/c10-4-1-5-13-7-2-3-8(11)9(12)6-7/h2-3,6H,1,4-5,11-12H2
- InChI Key： BBNHCTWVGNLURD-UHFFFAOYSA-N
- SMILES： ClCCCSC1C=CC(=C(C=1)N)N
Computed Properties
- Exact Mass: 216.04899
- Monoisotopic Mass: 216.0487973g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 146
- 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: 2.1
- Topological Polar Surface Area: 77.3?2
Experimental Properties
- PSA: 52.04
1,2-Benzenediamine, 4-[(3-chloropropyl)thio]- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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