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Home > Aldehydes > 189090-45-7
189090-45-7 | 1H-Pyrrole-2-carboxaldehyde, 3,4-bis(methylthio)-
CAS No: 189090-45-7 Catalog No: AG002HUH MDL No:
Product Description
Catalog Number:
AG002HUH
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 3,4-bis(methylthio)-
CAS Number:
189090-45-7
Molecular Formula:
C7H9NOS2
Molecular Weight:
187.2825
IUPAC Name:
3,4-bis(methylsulfanyl)-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C7H9NOS2/c1-10-6-3-8-5(4-9)7(6)11-2/h3-4,8H,1-2H3
InChI Key:
YDLNILMSOCEDFS-UHFFFAOYSA-N
SMILES:
CSc1c(C=O)[nH]cc1SC
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.275g/mol
Monoisotopic Mass:
187.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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