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1248473-57-5 | 2-Cyclopropyl-1,3-benzothiazole
CAS No: 1248473-57-5 Catalog No: AG00HHT5 MDL No:MFCD28505144
Product Description
Catalog Number:
AG00HHT5
Chemical Name:
2-Cyclopropyl-1,3-benzothiazole
CAS Number:
1248473-57-5
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
MDL Number:
MFCD28505144
IUPAC Name:
2-cyclopropyl-1,3-benzothiazole
InChI:
InChI=1S/C10H9NS/c1-2-4-9-8(3-1)11-10(12-9)7-5-6-7/h1-4,7H,5-6H2
InChI Key:
ZHQIJGGKCQBNNB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)sc(n2)C1CC1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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