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61406-16-4 | 1-Methyl-2-(methylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydroiodide
CAS No: 61406-16-4 Catalog No: AG01EWNL MDL No:
Product Description
Catalog Number:
AG01EWNL
Chemical Name:
1-Methyl-2-(methylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydroiodide
CAS Number:
61406-16-4
Molecular Formula:
C6H13IN2S
Molecular Weight:
272.1503
IUPAC Name:
1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide
InChI:
InChI=1S/C6H12N2S.HI/c1-8-5-3-4-7-6(8)9-2;/h3-5H2,1-2H3;1H
InChI Key:
MYOQEVZJNGELTJ-UHFFFAOYSA-N
SMILES:
CSC1=NCCCN1C.I
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.148g/mol
Monoisotopic Mass:
271.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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