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Home > Aldehydes > 191411-48-0
191411-48-0 | 2-(ETHYLSULFANYL)-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE
CAS No: 191411-48-0 Catalog No: AG00AMR4 MDL No:MFCD06797369
Product Description
Catalog Number:
AG00AMR4
Chemical Name:
2-(ETHYLSULFANYL)-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE
CAS Number:
191411-48-0
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD06797369
IUPAC Name:
2-ethylsulfanyl-3-methylimidazole-4-carbaldehyde
InChI:
InChI=1S/C7H10N2OS/c1-3-11-7-8-4-6(5-10)9(7)2/h4-5H,3H2,1-2H3
InChI Key:
JKAYYYSBZJAEII-UHFFFAOYSA-N
SMILES:
Cn1c(SCC)ncc1C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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