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29023-36-7 | Carbamodithioic acid, dimethyl-, (3,4-dichlorophenyl)methyl ester (9CI)
CAS No: 29023-36-7 Catalog No: AG002V8Q MDL No:
Product Description
Catalog Number:
AG002V8Q
Chemical Name:
Carbamodithioic acid, dimethyl-, (3,4-dichlorophenyl)methyl ester (9CI)
CAS Number:
29023-36-7
Molecular Formula:
C10H11Cl2NS2
Molecular Weight:
280.2370
IUPAC Name:
(3,4-dichlorophenyl)methyl N,N-dimethylcarbamodithioate
InChI:
InChI=1S/C10H11Cl2NS2/c1-13(2)10(14)15-6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3
InChI Key:
JQRVWYWQGYEOQJ-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)SCc1ccc(c(c1)Cl)Cl
NSC Number:
24914
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.225g/mol
Monoisotopic Mass:
278.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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