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116800-83-0 | Carbonimidodithioic acid, (2,6-dichlorobenzoyl)-, dimethyl ester (9CI)
CAS No: 116800-83-0 Catalog No: AG000D92 MDL No:MFCD00052436
Product Description
Catalog Number:
AG000D92
Chemical Name:
Carbonimidodithioic acid, (2,6-dichlorobenzoyl)-, dimethyl ester (9CI)
CAS Number:
116800-83-0
Molecular Formula:
C10H9Cl2NOS2
Molecular Weight:
294.2206
MDL Number:
MFCD00052436
IUPAC Name:
N-[bis(methylsulfanyl)methylidene]-2,6-dichlorobenzamide
InChI:
InChI=1S/C10H9Cl2NOS2/c1-15-10(16-2)13-9(14)8-6(11)4-3-5-7(8)12/h3-5H,1-2H3
InChI Key:
RCSXFKBBHSQYID-UHFFFAOYSA-N
SMILES:
CSC(=NC(=O)c1c(Cl)cccc1Cl)SC
NSC Number:
379417
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.95g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.208g/mol
Monoisotopic Mass:
292.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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