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Home > Aldehydes > 100747-87-3
100747-87-3 | 1,3,4-Thiadiazole-3(2H)-carboxaldehyde, 5-methyl-2-thioxo-
CAS No: 100747-87-3 Catalog No: AG0002RQ MDL No:
Product Description
Catalog Number:
AG0002RQ
Chemical Name:
1,3,4-Thiadiazole-3(2H)-carboxaldehyde, 5-methyl-2-thioxo-
CAS Number:
100747-87-3
Molecular Formula:
C4H4N2OS2
Molecular Weight:
160.2174
IUPAC Name:
5-methyl-2-sulfanylidene-1,3,4-thiadiazole-3-carbaldehyde
InChI:
InChI=1S/C4H4N2OS2/c1-3-5-6(2-7)4(8)9-3/h2H,1H3
InChI Key:
HJTPTRHOJMZRFC-UHFFFAOYSA-N
SMILES:
Cc1nn(c(=S)s1)C=O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.977g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.209g/mol
Monoisotopic Mass:
159.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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