200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 175538-78-0
175538-78-0 | 1H-Imidazole-1-carbothioic acid, O-propyl ester
CAS No: 175538-78-0 Catalog No: AG002117 MDL No:
Product Description
Catalog Number:
AG002117
Chemical Name:
1H-Imidazole-1-carbothioic acid, O-propyl ester
CAS Number:
175538-78-0
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
IUPAC Name:
O-propyl imidazole-1-carbothioate
InChI:
InChI=1S/C7H10N2OS/c1-2-5-10-7(11)9-4-3-8-6-9/h3-4,6H,2,5H2,1H3
InChI Key:
NTGVUTSATSZPQN-UHFFFAOYSA-N
SMILES:
CCCOC(=S)n1cncc1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.