Home Other Building Blocks 2-tert-butyl-1,3,4-thiadiazole

2-tert-butyl-1,3,4-thiadiazole

CAS No.:
317813-25-5
Catalog Number:
AG01B7IF
Molecular Formula:
C6H10N2S
Molecular Weight:
142.2220
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Product Description
Catalog Number:
AG01B7IF
Chemical Name:
2-tert-butyl-1,3,4-thiadiazole
CAS Number:
317813-25-5
Molecular Formula:
C6H10N2S
Molecular Weight:
142.2220
MDL Number:
MFCD28145396
IUPAC Name:
2-tert-butyl-1,3,4-thiadiazole
InChI:
InChI=1S/C6H10N2S/c1-6(2,3)5-8-7-4-9-5/h4H,1-3H3
InChI Key:
NXXBCDHYUFWPFQ-UHFFFAOYSA-N
SMILES:
CC(c1scnn1)(C)C
Properties
Complexity:
97.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.056g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.22g/mol
Monoisotopic Mass:
142.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties