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2059955-08-5 | 5-tert-butyl-1,3,4-thiadiazole-2-carbaldehyde
CAS No: 2059955-08-5 Catalog No: AG01C0O2 MDL No:MFCD30498123
Product Description
Catalog Number:
AG01C0O2
Chemical Name:
5-tert-butyl-1,3,4-thiadiazole-2-carbaldehyde
CAS Number:
2059955-08-5
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD30498123
IUPAC Name:
5-tert-butyl-1,3,4-thiadiazole-2-carbaldehyde
InChI:
InChI=1S/C7H10N2OS/c1-7(2,3)6-9-8-5(4-10)11-6/h4H,1-3H3
InChI Key:
AILBQPZDBRQCMU-UHFFFAOYSA-N
SMILES:
O=Cc1nnc(s1)C(C)(C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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