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1170-79-2 | Carbamodithioic acid, N,N'-1,2-ethanediylbis-, C,C'-bis[(4-chlorophenyl)methyl] ester
CAS No: 1170-79-2 Catalog No: AG000DJ1 MDL No:
Product Description
Catalog Number:
AG000DJ1
Chemical Name:
Carbamodithioic acid, N,N'-1,2-ethanediylbis-, C,C'-bis[(4-chlorophenyl)methyl] ester
CAS Number:
1170-79-2
Molecular Formula:
C18H18Cl2N2S4
Molecular Weight:
461.5149
IUPAC Name:
(4-chlorophenyl)methyl N-[2-[(4-chlorophenyl)methylsulfanylcarbothioylamino]ethyl]carbamodithioate
InChI:
InChI=1S/C18H18Cl2N2S4/c19-15-5-1-13(2-6-15)11-25-17(23)21-9-10-22-18(24)26-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChI Key:
HWEHBWWWDMTJDO-UHFFFAOYSA-N
SMILES:
S=C(SCc1ccc(cc1)Cl)NCCNC(=S)SCc1ccc(cc1)Cl
NSC Number:
24922
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.973g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
461.496g/mol
Monoisotopic Mass:
459.973g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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