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29228-88-4 | 2(1H)-Pyrimidinethione, tetrahydro-1-(1-methylethyl)-
CAS No: 29228-88-4 Catalog No: AG002XRX MDL No:
Product Description
Catalog Number:
AG002XRX
Chemical Name:
2(1H)-Pyrimidinethione, tetrahydro-1-(1-methylethyl)-
CAS Number:
29228-88-4
Molecular Formula:
C7H14N2S
Molecular Weight:
158.2645
IUPAC Name:
1-propan-2-yl-1,3-diazinane-2-thione
InChI:
InChI=1S/C7H14N2S/c1-6(2)9-5-3-4-8-7(9)10/h6H,3-5H2,1-2H3,(H,8,10)
InChI Key:
ODTWXCKLJDBJOB-UHFFFAOYSA-N
SMILES:
CC(N1CCCNC1=S)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.088g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.263g/mol
Monoisotopic Mass:
158.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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