Home Other Building Blocks 6-ethyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one

6-ethyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one

CAS No.:
1095231-37-0
Catalog Number:
AG01A8RO
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A8RO
Chemical Name:
6-ethyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one
CAS Number:
1095231-37-0
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD11632145
IUPAC Name:
6-ethyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H13NOS/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h6H,2-5H2,1H3,(H,10,11)
InChI Key:
BJXBACZSPFNJLB-UHFFFAOYSA-N
SMILES:
CCC1CCc2c(C1)sc(=O)[nH]2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties