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104132-75-4 | 4H-1,4-THIAZINE-4-CARBONITRILE
CAS No: 104132-75-4 Catalog No: AG0084VK MDL No:
Product Description
Catalog Number:
AG0084VK
Chemical Name:
4H-1,4-THIAZINE-4-CARBONITRILE
CAS Number:
104132-75-4
Molecular Formula:
C5H4N2S
Molecular Weight:
124.1637
IUPAC Name:
1,4-thiazine-4-carbonitrile
InChI:
InChI=1S/C5H4N2S/c6-5-7-1-3-8-4-2-7/h1-4H
InChI Key:
HXHZDFQMDMUZDU-UHFFFAOYSA-N
SMILES:
N#CN1C=CSC=C1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.01g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.161g/mol
Monoisotopic Mass:
124.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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