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262267-33-4 | Benzenecarbothioic acid, 4-iodo-, S-2-pyridinyl ester
CAS No: 262267-33-4 Catalog No: AG002SBS MDL No:
Product Description
Catalog Number:
AG002SBS
Chemical Name:
Benzenecarbothioic acid, 4-iodo-, S-2-pyridinyl ester
CAS Number:
262267-33-4
Molecular Formula:
C12H8INOS
Molecular Weight:
341.1675
IUPAC Name:
S-pyridin-2-yl 4-iodobenzenecarbothioate
InChI:
InChI=1S/C12H8INOS/c13-10-6-4-9(5-7-10)12(15)16-11-3-1-2-8-14-11/h1-8H
InChI Key:
FVJDDNWJMSOSBS-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=O)Sc1ccccn1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.937g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.166g/mol
Monoisotopic Mass:
340.937g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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