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Home > Imidazoles > 114260-14-9
114260-14-9 | 1H-Imidazole-2-carbodithioic acid, 1-methyl-, methyl ester
CAS No: 114260-14-9 Catalog No: AG000AXD MDL No:
Product Description
Catalog Number:
AG000AXD
Chemical Name:
1H-Imidazole-2-carbodithioic acid, 1-methyl-, methyl ester
CAS Number:
114260-14-9
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
IUPAC Name:
methyl 1-methylimidazole-2-carbodithioate
InChI:
InChI=1S/C6H8N2S2/c1-8-4-3-7-5(8)6(9)10-2/h3-4H,1-2H3
InChI Key:
OVJJFGTXTXHLHY-UHFFFAOYSA-N
SMILES:
CSC(=S)c1nccn1C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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