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88070-31-9 | 2(1H)-Pyrimidinethione,1-butyltetrahydro-6-hydroxy-5,6-dimethyl-
CAS No: 88070-31-9 Catalog No: AG004EU8 MDL No:
Product Description
Catalog Number:
AG004EU8
Chemical Name:
2(1H)-Pyrimidinethione,1-butyltetrahydro-6-hydroxy-5,6-dimethyl-
CAS Number:
88070-31-9
Molecular Formula:
C10H20N2OS
Molecular Weight:
216.3436
IUPAC Name:
1-butyl-6-hydroxy-5,6-dimethyl-1,3-diazinane-2-thione
InChI:
InChI=1S/C10H20N2OS/c1-4-5-6-12-9(14)11-7-8(2)10(12,3)13/h8,13H,4-7H2,1-3H3,(H,11,14)
InChI Key:
AGZVCZSPSFKNDD-UHFFFAOYSA-N
SMILES:
CCCCN1C(=S)NCC(C1(C)O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.13g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.343g/mol
Monoisotopic Mass:
216.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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