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2973-84-4 | Carbonochloridimidothioic acid, (phenylsulfonyl)-, methyl ester (9CI)
CAS No: 2973-84-4 Catalog No: AG002Z8R MDL No:
Product Description
Catalog Number:
AG002Z8R
Chemical Name:
Carbonochloridimidothioic acid, (phenylsulfonyl)-, methyl ester (9CI)
CAS Number:
2973-84-4
Molecular Formula:
C8H8ClNO2S2
Molecular Weight:
249.7376
IUPAC Name:
N-(benzenesulfonyl)-1-methylsulfanylmethanimidoyl chloride
InChI:
InChI=1S/C8H8ClNO2S2/c1-13-8(9)10-14(11,12)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
RNRHVDJXZRRFDV-UHFFFAOYSA-N
SMILES:
CSC(=NS(=O)(=O)c1ccccc1)Cl
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.968g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.727g/mol
Monoisotopic Mass:
248.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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