Cas no 73688-66-1 (2-amino-4,5-dimethylbenzenethiol;hydrochloride)
73688-66-1 structure
Product Name:2-amino-4,5-dimethylbenzenethiol;hydrochloride
CAS No:73688-66-1
MF:C8H12ClNS
MW:189.70557975769
CID:978304
PubChem ID:3056307
Update Time:2025-04-19
2-amino-4,5-dimethylbenzenethiol;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-4,5-dimethylbenzenethiol;hydrochloride
- NSC 100293; 4,5-Dimethyl-2-aminobenzenethiol hydrochloride; Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride; AC1MHR3F; NSC100293; NSC-100293; Benzenethiol,5-dimethyl-, hydrochloride; LS-32186; 2-amino-4,5-dimethylbenzenethiol hydrochloride;
- DTXSID30223962
- Benzenethiol, 2-amino-4,5-dimethyl-, hydrochloride
- NSC 100293
- NSC-100293
- 4,5-Dimethyl-2-aminobenzenethiol hydrochloride
- Benzenethiol,5-dimethyl-, hydrochloride
- 73688-66-1
- NSC100293
-
- Inchi： 1S/C8H11NS.ClH/c1-5-3-7(9)8(10)4-6(5)2;/h3-4,10H,9H2,1-2H3;1H
- InChI Key： IMZGYPGQERGYQT-UHFFFAOYSA-N
- SMILES： Cl.SC1C(=CC(C)=C(C)C=1)N
Computed Properties
- Exact Mass: 189.0378983g/mol
- Monoisotopic Mass: 189.0378983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 116
- 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: 27?2
2-amino-4,5-dimethylbenzenethiol;hydrochloride Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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