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

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

CAS No.:
1183809-08-6
Catalog Number:
AG01A8RS
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
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Product Description
Catalog Number:
AG01A8RS
Chemical Name:
6-propyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one
CAS Number:
1183809-08-6
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
MDL Number:
MFCD12806028
IUPAC Name:
6-propyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C10H15NOS/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h7H,2-6H2,1H3,(H,11,12)
InChI Key:
XWYBQVCMRZXNOH-UHFFFAOYSA-N
SMILES:
CCCC1CCc2c(C1)sc(=O)[nH]2
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties