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Home > Aldehydes > 1342053-68-2
1342053-68-2 | 2-[(5-METHYL-1H-1,3-BENZODIAZOL-2-YL)SULFANYL]ACETALDEHYDE
CAS No: 1342053-68-2 Catalog No: AG01BITZ MDL No:MFCD17234301
Product Description
Catalog Number:
AG01BITZ
Chemical Name:
2-[(5-METHYL-1H-1,3-BENZODIAZOL-2-YL)SULFANYL]ACETALDEHYDE
CAS Number:
1342053-68-2
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
MDL Number:
MFCD17234301
IUPAC Name:
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
InChI:
InChI=1S/C10H10N2OS/c1-7-2-3-8-9(6-7)12-10(11-8)14-5-4-13/h2-4,6H,5H2,1H3,(H,11,12)
InChI Key:
SKDDBZIDXMNGEI-UHFFFAOYSA-N
SMILES:
O=CCSc1nc2c([nH]1)ccc(c2)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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