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138189-13-6 | Benzenecarboximidoyl chloride, N-(aminothioxomethyl)-
CAS No: 138189-13-6 Catalog No: AG00185J MDL No:
Product Description
Catalog Number:
AG00185J
Chemical Name:
Benzenecarboximidoyl chloride, N-(aminothioxomethyl)-
CAS Number:
138189-13-6
Molecular Formula:
C8H7ClN2S
Molecular Weight:
198.6726
IUPAC Name:
N-carbamothioylbenzenecarboximidoyl chloride
InChI:
InChI=1S/C8H7ClN2S/c9-7(11-8(10)12)6-4-2-1-3-5-6/h1-5H,(H2,10,12)
InChI Key:
KGPWQZRQAAOAGM-UHFFFAOYSA-N
SMILES:
ClC(=NC(=S)N)c1ccccc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.668g/mol
Monoisotopic Mass:
198.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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