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53064-92-9

53064-92-9 | 2-[(1-METHYL-1H-IMIDAZOL-2-YL)THIO]ETHAN-1-OL

CAS No: 53064-92-9 Catalog No: AG00D9N3 MDL No:MFCD00828920

Product Description

Catalog Number:
AG00D9N3
Chemical Name:
2-[(1-METHYL-1H-IMIDAZOL-2-YL)THIO]ETHAN-1-OL
CAS Number:
53064-92-9
Molecular Formula:
C6H10N2OS
Molecular Weight:
158.2214
MDL Number:
MFCD00828920
IUPAC Name:
2-(1-methylimidazol-2-yl)sulfanylethanol
InChI:
InChI=1S/C6H10N2OS/c1-8-3-2-7-6(8)10-5-4-9/h2-3,9H,4-5H2,1H3
InChI Key:
XMHVEJIITNFCBG-UHFFFAOYSA-N
SMILES:
OCCSc1nccn1C

Properties

Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.051g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.219g/mol
Monoisotopic Mass:
158.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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