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88352-40-3 | Carbamimidothioic acid, (3-chlorophenyl)-, methyl ester
CAS No: 88352-40-3 Catalog No: AG0045SP MDL No:MFCD24588097
Product Description
Catalog Number:
AG0045SP
Chemical Name:
Carbamimidothioic acid, (3-chlorophenyl)-, methyl ester
CAS Number:
88352-40-3
Molecular Formula:
C8H9ClN2S
Molecular Weight:
200.6885
MDL Number:
MFCD24588097
IUPAC Name:
methyl N'-(3-chlorophenyl)carbamimidothioate
InChI:
InChI=1S/C8H9ClN2S/c1-12-8(10)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11)
InChI Key:
SDFIUTHXSMFBME-UHFFFAOYSA-N
SMILES:
CSC(=N)Nc1cccc(c1)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.684g/mol
Monoisotopic Mass:
200.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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