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116200-78-3 | 1,3,5-Triazine-2(1H)-thione, 1,3,5-tributyltetrahydro-
CAS No: 116200-78-3 Catalog No: AG000BVL MDL No:
Product Description
Catalog Number:
AG000BVL
Chemical Name:
1,3,5-Triazine-2(1H)-thione, 1,3,5-tributyltetrahydro-
CAS Number:
116200-78-3
Molecular Formula:
C15H31N3S
Molecular Weight:
285.4917
IUPAC Name:
1,3,5-tributyl-1,3,5-triazinane-2-thione
InChI:
InChI=1S/C15H31N3S/c1-4-7-10-16-13-17(11-8-5-2)15(19)18(14-16)12-9-6-3/h4-14H2,1-3H3
InChI Key:
KZLSDGLECKHQHB-UHFFFAOYSA-N
SMILES:
CCCCN1CN(CCCC)C(=S)N(C1)CCCC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.224g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.494g/mol
Monoisotopic Mass:
285.224g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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