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17374-21-9 | 2H-1,3-Thiazine-2-thione, 3,6-dihydro-4,6,6-trimethyl-
CAS No: 17374-21-9 Catalog No: AG001Z5R MDL No:
Product Description
Catalog Number:
AG001Z5R
Chemical Name:
2H-1,3-Thiazine-2-thione, 3,6-dihydro-4,6,6-trimethyl-
CAS Number:
17374-21-9
Molecular Formula:
C7H11NS2
Molecular Weight:
173.2989
IUPAC Name:
4,6,6-trimethyl-3H-1,3-thiazine-2-thione
InChI:
InChI=1S/C7H11NS2/c1-5-4-7(2,3)10-6(9)8-5/h4H,1-3H3,(H,8,9)
InChI Key:
DLBJODXBDQMKRQ-UHFFFAOYSA-N
SMILES:
S=C1NC(=CC(S1)(C)C)C
NSC Number:
3280
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.292g/mol
Monoisotopic Mass:
173.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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