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Home > Imidazoles > 53440-31-6
53440-31-6 | 2-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)BENZENETHIOL
CAS No: 53440-31-6 Catalog No: AG00DD6G MDL No:MFCD01815126
Product Description
Catalog Number:
AG00DD6G
Chemical Name:
2-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)BENZENETHIOL
CAS Number:
53440-31-6
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD01815126
IUPAC Name:
2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
InChI:
InChI=1S/C9H10N2S/c12-8-4-2-1-3-7(8)9-10-5-6-11-9/h1-4,12H,5-6H2,(H,10,11)
InChI Key:
YDPWBCYJZWQKDD-UHFFFAOYSA-N
SMILES:
Sc1ccccc1C1=NCCN1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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