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58861-60-2 | 2-Benzothiazolecarbothioylchloride(9CI)
CAS No: 58861-60-2 Catalog No: AG00EOG4 MDL No:
Product Description
Catalog Number:
AG00EOG4
Chemical Name:
2-Benzothiazolecarbothioylchloride(9CI)
CAS Number:
58861-60-2
IUPAC Name:
1,3-benzothiazole-2-carbothioyl chloride
InChI:
InChI=1S/C8H4ClNS2/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H
InChI Key:
KQXPAGYTWYZXAO-UHFFFAOYSA-N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.697g/mol
Monoisotopic Mass:
212.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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