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73544-70-4 | 2-Benzothiazolemethanethiol
CAS No: 73544-70-4 Catalog No: AG005MWG MDL No:
Product Description
Catalog Number:
AG005MWG
Chemical Name:
2-Benzothiazolemethanethiol
CAS Number:
73544-70-4
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
IUPAC Name:
1,3-benzothiazol-2-ylmethanethiol
InChI:
InChI=1S/C8H7NS2/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-4,10H,5H2
InChI Key:
OTIQKQSVRZRATN-UHFFFAOYSA-N
SMILES:
SCc1nc2c(s1)cccc2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Application of 2-trichloromethylbenzimidazole in analytical chemistry: a highly selective chromogenic reagent for thin-layer chromatography and some other analytical uses. | Journal of analytical methods in chemistry 20120101 |
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