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127024-28-6 | 3-Isothiazolamine, 5-(1,1-dimethylethyl)-
CAS No: 127024-28-6 Catalog No: AG000WK3 MDL No:MFCD18451894
Product Description
Catalog Number:
AG000WK3
Chemical Name:
3-Isothiazolamine, 5-(1,1-dimethylethyl)-
CAS Number:
127024-28-6
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
MDL Number:
MFCD18451894
IUPAC Name:
5-tert-butyl-1,2-thiazol-3-amine
InChI:
InChI=1S/C7H12N2S/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)
InChI Key:
WWZIRENXMOAEIP-UHFFFAOYSA-N
SMILES:
CC(c1snc(c1)N)(C)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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