Home Other Building Blocks 2-(2-BENZOTHIAZOLYLTHIO)ETHANOL

2-(2-BENZOTHIAZOLYLTHIO)ETHANOL

CAS No.:
4665-63-8
Catalog Number:
AG00DFZW
Molecular Formula:
C9H9NOS2
Molecular Weight:
211.3039
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Product Description
Catalog Number:
AG00DFZW
Chemical Name:
2-(2-BENZOTHIAZOLYLTHIO)ETHANOL
CAS Number:
4665-63-8
Molecular Formula:
C9H9NOS2
Molecular Weight:
211.3039
MDL Number:
MFCD02670964
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)ethanol
InChI:
InChI=1S/C9H9NOS2/c11-5-6-12-9-10-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2
InChI Key:
PYNOHHMFQYUSDD-UHFFFAOYSA-N
SMILES:
OCCSc1nc2c(s1)cccc2
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.013g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties