Home Aldehydes 5-(propan-2-yl)-1,3,4-thiadiazole-2-carbaldehyde

5-(propan-2-yl)-1,3,4-thiadiazole-2-carbaldehyde

CAS No.:
1260665-98-2
Catalog Number:
AG01BVLU
Molecular Formula:
C6H8N2OS
Molecular Weight:
156.2055
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Product Description
Catalog Number:
AG01BVLU
Chemical Name:
5-(propan-2-yl)-1,3,4-thiadiazole-2-carbaldehyde
CAS Number:
1260665-98-2
Molecular Formula:
C6H8N2OS
Molecular Weight:
156.2055
MDL Number:
MFCD30486590
IUPAC Name:
5-propan-2-yl-1,3,4-thiadiazole-2-carbaldehyde
InChI:
InChI=1S/C6H8N2OS/c1-4(2)6-8-7-5(3-9)10-6/h3-4H,1-2H3
InChI Key:
LPOPFEQVULERIX-UHFFFAOYSA-N
SMILES:
O=Cc1nnc(s1)C(C)C
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.036g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.203g/mol
Monoisotopic Mass:
156.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties