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17626-86-7 | Benzothiazole, 2-(1-methylethyl)- (9CI)
CAS No: 17626-86-7 Catalog No: AG00AUZS MDL No:MFCD05982140
Product Description
Catalog Number:
AG00AUZS
Chemical Name:
Benzothiazole, 2-(1-methylethyl)- (9CI)
CAS Number:
17626-86-7
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD05982140
IUPAC Name:
2-propan-2-yl-1,3-benzothiazole
InChI:
InChI=1S/C10H11NS/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3
InChI Key:
NFRMLNPNLJBPOL-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(s1)cccc2)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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