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10002-30-9 | Benzenecarbothioic acid, S-2-pyridinyl ester
CAS No: 10002-30-9 Catalog No: AG0000BF MDL No:
Product Description
Catalog Number:
AG0000BF
Chemical Name:
Benzenecarbothioic acid, S-2-pyridinyl ester
CAS Number:
10002-30-9
Molecular Formula:
C12H9NOS
Molecular Weight:
215.2710
IUPAC Name:
S-pyridin-2-yl benzenecarbothioate
InChI:
InChI=1S/C12H9NOS/c14-12(10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H
InChI Key:
OOAHHQOWYHAPIH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Sc1ccccn1
NSC Number:
98843
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.27g/mol
Monoisotopic Mass:
215.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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