Home Carboxys 3-cyclopropyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylic acid

3-cyclopropyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylic acid

CAS No.:
1483075-99-5
Catalog Number:
AG01C4HD
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
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Product Description
Catalog Number:
AG01C4HD
Chemical Name:
3-cyclopropyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylic acid
CAS Number:
1483075-99-5
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
MDL Number:
MFCD29991314
IUPAC Name:
3-cyclopropyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C7H8N2O2S/c10-6(11)5-3-8-7(12)9(5)4-1-2-4/h3-4H,1-2H2,(H,8,12)(H,10,11)
InChI Key:
WHKZVHYUYIXOST-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(=S)n1C1CC1
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties