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20268-38-6 | 1H-Imidazole, 4,5-dihydro-2-[(phenylmethyl)thio]-
CAS No: 20268-38-6 Catalog No: AG0028CZ MDL No:MFCD00278183
Product Description
Catalog Number:
AG0028CZ
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-[(phenylmethyl)thio]-
CAS Number:
20268-38-6
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD00278183
IUPAC Name:
2-benzylsulfanyl-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C10H12N2S/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
InChI Key:
UMIMRBZSSFFXQV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSC1=NCCN1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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