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121761-15-7 | 2-Pyrazinecarbothioic acid, S-phenyl ester
CAS No: 121761-15-7 Catalog No: AG0015UO MDL No:MFCD03425980
Product Description
Catalog Number:
AG0015UO
Chemical Name:
2-Pyrazinecarbothioic acid, S-phenyl ester
CAS Number:
121761-15-7
Molecular Formula:
C11H8N2OS
Molecular Weight:
216.2590
MDL Number:
MFCD03425980
IUPAC Name:
S-phenyl pyrazine-2-carbothioate
InChI:
InChI=1S/C11H8N2OS/c14-11(10-8-12-6-7-13-10)15-9-4-2-1-3-5-9/h1-8H
InChI Key:
SHGTVHYSQCVCTF-UHFFFAOYSA-N
SMILES:
O=C(c1cnccn1)Sc1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.258g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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