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64377-94-2 | 2-Benzothiazolecarbothioamide(9CI)
CAS No: 64377-94-2 Catalog No: AG00EORD MDL No:
Product Description
Catalog Number:
AG00EORD
Chemical Name:
2-Benzothiazolecarbothioamide(9CI)
CAS Number:
64377-94-2
IUPAC Name:
1,3-benzothiazole-2-carbothioamide
InChI:
InChI=1S/C8H6N2S2/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H,(H2,9,11)
InChI Key:
WDAPIKXNVBUCTJ-UHFFFAOYSA-N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.27g/mol
Monoisotopic Mass:
193.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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