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115735-35-8 | 1,3,5-Triazine-2(1H)-thione, 6-ethyl-3,4-dihydro-4,4-dimethyl-
CAS No: 115735-35-8 Catalog No: AG000GTI MDL No:
Product Description
Catalog Number:
AG000GTI
Chemical Name:
1,3,5-Triazine-2(1H)-thione, 6-ethyl-3,4-dihydro-4,4-dimethyl-
CAS Number:
115735-35-8
Molecular Formula:
C7H13N3S
Molecular Weight:
171.2632
IUPAC Name:
6-ethyl-4,4-dimethyl-1,3-dihydro-1,3,5-triazine-2-thione
InChI:
InChI=1S/C7H13N3S/c1-4-5-8-6(11)10-7(2,3)9-5/h4H2,1-3H3,(H2,8,9,10,11)
InChI Key:
XMLLPYLNWQMAIR-UHFFFAOYSA-N
SMILES:
CCC1=NC(NC(=S)N1)(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.083g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.262g/mol
Monoisotopic Mass:
171.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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