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101948-49-6 | 1,3,5-Triazine-2(1H)-thione, 5,5'-(1,3-propanediyl)bis[tetrahydro-
CAS No: 101948-49-6 Catalog No: AG00061Y MDL No:
Product Description
Catalog Number:
AG00061Y
Chemical Name:
1,3,5-Triazine-2(1H)-thione, 5,5'-(1,3-propanediyl)bis[tetrahydro-
CAS Number:
101948-49-6
Molecular Formula:
C9H18N6S2
Molecular Weight:
274.4094
IUPAC Name:
5-[3-(4-sulfanylidene-1,3,5-triazinan-1-yl)propyl]-1,3,5-triazinane-2-thione
InChI:
InChI=1S/C9H18N6S2/c16-8-10-4-14(5-11-8)2-1-3-15-6-12-9(17)13-7-15/h1-7H2,(H2,10,11,16)(H2,12,13,17)
InChI Key:
ZLGGYMVVTLPZJZ-UHFFFAOYSA-N
SMILES:
S=C1NCN(CN1)CCCN1CNC(=S)NC1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.405g/mol
Monoisotopic Mass:
274.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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