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13046-52-1 | Hydrazinecarbodithioic acid, 2-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS No: 13046-52-1 Catalog No: AG000UGJ MDL No:
Product Description
Catalog Number:
AG000UGJ
Chemical Name:
Hydrazinecarbodithioic acid, 2-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS Number:
13046-52-1
Molecular Formula:
C9H12N2O2S3
Molecular Weight:
276.3988
IUPAC Name:
methyl N-[(4-methylphenyl)sulfonylamino]carbamodithioate
InChI:
InChI=1S/C9H12N2O2S3/c1-7-3-5-8(6-4-7)16(12,13)11-10-9(14)15-2/h3-6,11H,1-2H3,(H,10,14)
InChI Key:
DWNVCADXCXWSPB-UHFFFAOYSA-N
SMILES:
CSC(=S)NNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.006g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.387g/mol
Monoisotopic Mass:
276.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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