Home Aldehydes 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde

6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde

CAS No.:
1343764-35-1
Catalog Number:
AG01A3P3
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
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Product Description
Catalog Number:
AG01A3P3
Chemical Name:
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
CAS Number:
1343764-35-1
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD17251099
IUPAC Name:
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
InChI:
InChI=1S/C9H11NOS/c1-6-2-3-7-8(4-6)12-9(5-11)10-7/h5-6H,2-4H2,1H3
InChI Key:
NEIWVXBOWGZVAZ-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(s1)CC(CC2)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties