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201021-89-8 | 3-(2-Mercaptopyrimidin-5-yl)propan-1-ol
CAS No: 201021-89-8 Catalog No: AG01FM8K MDL No:MFCD18917545
Product Description
Catalog Number:
AG01FM8K
Chemical Name:
3-(2-Mercaptopyrimidin-5-yl)propan-1-ol
CAS Number:
201021-89-8
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD18917545
IUPAC Name:
5-(3-hydroxypropyl)-1H-pyrimidine-2-thione
InChI:
InChI=1S/C7H10N2OS/c10-3-1-2-6-4-8-7(11)9-5-6/h4-5,10H,1-3H2,(H,8,9,11)
InChI Key:
AFQSTZLYZWXYPV-UHFFFAOYSA-N
SMILES:
OCCCc1cnc(nc1)S
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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