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89138-39-6 | 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
CAS No: 89138-39-6 Catalog No: AG003WXJ MDL No:MFCD00023169
Product Description
Catalog Number:
AG003WXJ
Chemical Name:
5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
CAS Number:
89138-39-6
Molecular Formula:
C6H13N3OS
Molecular Weight:
175.2519
MDL Number:
MFCD00023169
IUPAC Name:
5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
InChI:
InChI=1S/C6H13N3OS/c1-5(10)2-9-3-7-6(11)8-4-9/h5,10H,2-4H2,1H3,(H2,7,8,11)
InChI Key:
ULYPWWYAPKRHNU-UHFFFAOYSA-N
SMILES:
CC(CN1CNC(=S)NC1)O
NSC Number:
319455
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.078g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.25g/mol
Monoisotopic Mass:
175.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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