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92081-79-3 | 2-Benzothiazolecarbothioamide, N-(phenylmethyl)-
CAS No: 92081-79-3 Catalog No: AG006K49 MDL No:
Product Description
Catalog Number:
AG006K49
Chemical Name:
2-Benzothiazolecarbothioamide, N-(phenylmethyl)-
CAS Number:
92081-79-3
Molecular Formula:
C15H12N2S2
Molecular Weight:
284.3992
IUPAC Name:
N-benzyl-1,3-benzothiazole-2-carbothioamide
InChI:
InChI=1S/C15H12N2S2/c18-14(16-10-11-6-2-1-3-7-11)15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18)
InChI Key:
KUIHPCFHTYNKNR-UHFFFAOYSA-N
SMILES:
S=C(c1nc2c(s1)cccc2)NCc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.395g/mol
Monoisotopic Mass:
284.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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