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27813-20-3 | 1,3-Thiazine (8CI,9CI)
CAS No: 27813-20-3 Catalog No: AG002UTA MDL No:
Product Description
Catalog Number:
AG002UTA
Chemical Name:
1,3-Thiazine (8CI,9CI)
CAS Number:
27813-20-3
Molecular Formula:
C4H5NS
Molecular Weight:
99.1542
IUPAC Name:
2H-1,3-thiazine
InChI:
InChI=1S/C4H5NS/c1-2-5-4-6-3-1/h1-3H,4H2
InChI Key:
NTYABNDBNKVWOO-UHFFFAOYSA-N
SMILES:
C1SC=CC=N1
Properties
Complexity:
85.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.014g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.151g/mol
Monoisotopic Mass:
99.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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