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79639-82-0 | 3-Pyridinecarbodithioic acid, methyl ester
CAS No: 79639-82-0 Catalog No: AG00514Y MDL No:
Product Description
Catalog Number:
AG00514Y
Chemical Name:
3-Pyridinecarbodithioic acid, methyl ester
CAS Number:
79639-82-0
Molecular Formula:
C7H7NS2
Molecular Weight:
169.2672
IUPAC Name:
methyl pyridine-3-carbodithioate
InChI:
InChI=1S/C7H7NS2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
InChI Key:
SKFLZKSHPQZTCO-UHFFFAOYSA-N
SMILES:
CSC(=S)c1cccnc1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.002g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.26g/mol
Monoisotopic Mass:
169.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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