Cas no 57780-76-4 (1,2-Benzenediamine,4-(propylthio)-, hydrochloride (1:?))
57780-76-4 structure
Product Name:1,2-Benzenediamine,4-(propylthio)-, hydrochloride (1:?)
CAS No:57780-76-4
MF:C9H15ClN2S
MW:218.746799707413
CID:374990
PubChem ID:6365551
Update Time:2025-04-19
1,2-Benzenediamine,4-(propylthio)-, hydrochloride (1:?) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine,4-(propylthio)-, hydrochloride (1:?)
- 4-(propylthio)benzene-1,2-diamine hydrochloride
- 4-propylsulfanylbenzene-1,2-diamine,hydrochloride
- 4-(propylsulfanyl)benzene-1,2-diamine hydrochloride
- NS00053049
- SCHEMBL11812617
- EINECS 260-949-3
- 4-propylsulfanylbenzene-1,2-diamine;hydrochloride
- DTXSID70206476
- 57780-76-4
-
- Inchi： 1S/C9H14N2S.ClH/c1-2-5-12-7-3-4-8(10)9(11)6-7;/h3-4,6H,2,5,10-11H2,1H3;1H
- InChI Key： WEXOIPBOPIVXDZ-UHFFFAOYSA-N
- SMILES： Cl.S(C1C=CC(=C(C=1)N)N)CCC
Computed Properties
- Exact Mass: 218.06465
- Monoisotopic Mass: 218.064447
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 130
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.3
Experimental Properties
- Boiling Point: 352.3°Cat760mmHg
- Flash Point: 166.8°C
- PSA: 52.04
1,2-Benzenediamine,4-(propylthio)-, hydrochloride (1:?) Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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