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10132-14-6 | Pyrimidine, 2-[(1-methylethyl)thio]-
CAS No: 10132-14-6 Catalog No: AG000485 MDL No:
Product Description
Catalog Number:
AG000485
Chemical Name:
Pyrimidine, 2-[(1-methylethyl)thio]-
CAS Number:
10132-14-6
Molecular Formula:
C7H10N2S
Molecular Weight:
154.2327
IUPAC Name:
2-propan-2-ylsulfanylpyrimidine
InChI:
InChI=1S/C7H10N2S/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3
InChI Key:
ZBCOKNGCKKXUMP-UHFFFAOYSA-N
SMILES:
CC(Sc1ncccn1)C
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.231g/mol
Monoisotopic Mass:
154.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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