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19834-93-6 | Pyrimidine, 2-[(chloromethyl)thio]-
CAS No: 19834-93-6 Catalog No: AG002BGO MDL No:
Product Description
Catalog Number:
AG002BGO
Chemical Name:
Pyrimidine, 2-[(chloromethyl)thio]-
CAS Number:
19834-93-6
Molecular Formula:
C5H5ClN2S
Molecular Weight:
160.6246
IUPAC Name:
2-(chloromethylsulfanyl)pyrimidine
InChI:
InChI=1S/C5H5ClN2S/c6-4-9-5-7-2-1-3-8-5/h1-3H,4H2
InChI Key:
RFJFZILWLCPSIX-UHFFFAOYSA-N
SMILES:
ClCSc1ncccn1
Properties
Complexity:
75.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.986g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.619g/mol
Monoisotopic Mass:
159.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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