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1000576-74-8 | Methyl (3-chlorophenyl)methylcarbamodithioate
CAS No: 1000576-74-8 Catalog No: AG01FA7C MDL No:
Product Description
Catalog Number:
AG01FA7C
Chemical Name:
Methyl (3-chlorophenyl)methylcarbamodithioate
CAS Number:
1000576-74-8
Molecular Formula:
C9H10ClNS2
Molecular Weight:
231.7654
IUPAC Name:
methyl N-(3-chlorophenyl)-N-methylcarbamodithioate
InChI:
InChI=1S/C9H10ClNS2/c1-11(9(12)13-2)8-5-3-4-7(10)6-8/h3-6H,1-2H3
InChI Key:
CANPRAFGARXADP-UHFFFAOYSA-N
SMILES:
CSC(=S)N(c1cccc(c1)Cl)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.756g/mol
Monoisotopic Mass:
230.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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