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13091-77-5 | 2H-1,3-Thiazine-2-thione, tetrahydro-6-methyl-
CAS No: 13091-77-5 Catalog No: AG000V3O MDL No:
Product Description
Catalog Number:
AG000V3O
Chemical Name:
2H-1,3-Thiazine-2-thione, tetrahydro-6-methyl-
CAS Number:
13091-77-5
Molecular Formula:
C5H9NS2
Molecular Weight:
147.2617
IUPAC Name:
6-methyl-1,3-thiazinane-2-thione
InChI:
InChI=1S/C5H9NS2/c1-4-2-3-6-5(7)8-4/h4H,2-3H2,1H3,(H,6,7)
InChI Key:
JTKVENRYZYGZDG-UHFFFAOYSA-N
SMILES:
CC1CCNC(=S)S1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.018g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.254g/mol
Monoisotopic Mass:
147.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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