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5445-73-8 | 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE
CAS No: 5445-73-8 Catalog No: AG00D8VU MDL No:MFCD00829842
Product Description
Catalog Number:
AG00D8VU
Chemical Name:
2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE
CAS Number:
5445-73-8
Molecular Formula:
C5H11IN2S
Molecular Weight:
258.1237
MDL Number:
MFCD00829842
IUPAC Name:
2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine;hydroiodide
InChI:
InChI=1S/C5H10N2S.HI/c1-8-5-6-3-2-4-7-5;/h2-4H2,1H3,(H,6,7);1H
InChI Key:
RUXGXTKDBJMOAM-UHFFFAOYSA-N
SMILES:
CSC1=NCCCN1.I
NSC Number:
22197
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.969g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.121g/mol
Monoisotopic Mass:
257.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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