Home Aldehydes 5-Benzothiazolecarboxaldehyde

5-Benzothiazolecarboxaldehyde

CAS No.:
394223-38-2
Catalog Number:
AG00CIS7
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
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Product Description
Catalog Number:
AG00CIS7
Chemical Name:
5-Benzothiazolecarboxaldehyde
CAS Number:
394223-38-2
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
MDL Number:
MFCD11858591
IUPAC Name:
1,3-benzothiazole-5-carbaldehyde
InChI:
InChI=1S/C8H5NOS/c10-4-6-1-2-8-7(3-6)9-5-11-8/h1-5H
InChI Key:
YMEMSAXFUBUVNV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)ncs2
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.194g/mol
Monoisotopic Mass:
163.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties