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147331-83-7 | 2H-1,3-Thiazine-4-carboxylic acid, tetrahydro-, (4S)-
CAS No: 147331-83-7 Catalog No: AG001ETQ MDL No:
Product Description
Catalog Number:
AG001ETQ
Chemical Name:
2H-1,3-Thiazine-4-carboxylic acid, tetrahydro-, (4S)-
CAS Number:
147331-83-7
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
(4S)-1,3-thiazinane-4-carboxylic acid
InChI:
InChI=1S/C5H9NO2S/c7-5(8)4-1-2-9-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChI Key:
JZKHUBWXBZINMO-BYPYZUCNSA-N
SMILES:
OC(=O)[C@@H]1CCSCN1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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