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4542-26-1 | 2-Benzothiazoleethanethiol(7CI,8CI)
CAS No: 4542-26-1 Catalog No: AG00DO09 MDL No:
Product Description
Catalog Number:
AG00DO09
Chemical Name:
2-Benzothiazoleethanethiol(7CI,8CI)
CAS Number:
4542-26-1
IUPAC Name:
2-(1,3-benzothiazol-2-yl)ethanethiol
InChI:
InChI=1S/C9H9NS2/c11-6-5-9-10-7-3-1-2-4-8(7)12-9/h1-4,11H,5-6H2
InChI Key:
OWYFOPWBBHKOLP-UHFFFAOYSA-N
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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