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Home > Imidazoles > 1314953-79-1
1314953-79-1 | 2-(1H-imidazol-2-ylsulfanyl)ethan-1-ol
CAS No: 1314953-79-1 Catalog No: AG01DV8X MDL No:MFCD19226456
Product Description
Catalog Number:
AG01DV8X
Chemical Name:
2-(1H-imidazol-2-ylsulfanyl)ethan-1-ol
CAS Number:
1314953-79-1
Molecular Formula:
C5H8N2OS
Molecular Weight:
144.1948
MDL Number:
MFCD19226456
IUPAC Name:
2-(1H-imidazol-2-ylsulfanyl)ethanol
InChI:
InChI=1S/C5H8N2OS/c8-3-4-9-5-6-1-2-7-5/h1-2,8H,3-4H2,(H,6,7)
InChI Key:
KFGUJPNWHZXHTB-UHFFFAOYSA-N
SMILES:
OCCSc1ncc[nH]1
Properties
Complexity:
81.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.036g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.192g/mol
Monoisotopic Mass:
144.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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