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101626-73-7 | 1H-Imidazole, 4,5-dihydro-2-[[[2-(1-methylethyl)phenyl]thio]methyl]-, hydrochloride (1:1)
CAS No: 101626-73-7 Catalog No: AG00050S MDL No:
Product Description
Catalog Number:
AG00050S
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-[[[2-(1-methylethyl)phenyl]thio]methyl]-, hydrochloride (1:1)
CAS Number:
101626-73-7
Molecular Formula:
C13H19ClN2S
Molecular Weight:
270.8214
IUPAC Name:
2-[(2-propan-2-ylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;chloride
InChI:
InChI=1S/C13H18N2S.ClH/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13;/h3-6,10H,7-9H2,1-2H3,(H,14,15);1H/p-1
InChI Key:
FZMUFGUFCKKDOD-UHFFFAOYSA-M
SMILES:
CC(c1ccccc1SCC1=NCCN1)C.Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.088g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.811g/mol
Monoisotopic Mass:
269.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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