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76834-95-2 | 2-methylsulfanylthiophene-3-carbaldehyde
CAS No: 76834-95-2 Catalog No: AG01DEH8 MDL No:MFCD01934514
Product Description
Catalog Number:
AG01DEH8
Chemical Name:
2-methylsulfanylthiophene-3-carbaldehyde
CAS Number:
76834-95-2
Molecular Formula:
C6H6OS2
Molecular Weight:
158.2412
MDL Number:
MFCD01934514
IUPAC Name:
2-methylsulfanylthiophene-3-carbaldehyde
InChI:
InChI=1S/C6H6OS2/c1-8-6-5(4-7)2-3-9-6/h2-4H,1H3
InChI Key:
YBPKXSLFIDCIHK-UHFFFAOYSA-N
SMILES:
CSc1sccc1C=O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.986g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.233g/mol
Monoisotopic Mass:
157.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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