Home Other Building Blocks (3-CHLORO-4-(METHYLTHIO)PHENYL)METHANOL

(3-CHLORO-4-(METHYLTHIO)PHENYL)METHANOL

CAS No.:
694481-00-0
Catalog Number:
AG01E0E4
Molecular Formula:
C8H9ClOS
Molecular Weight:
188.6745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01E0E4
Chemical Name:
(3-CHLORO-4-(METHYLTHIO)PHENYL)METHANOL
CAS Number:
694481-00-0
Molecular Formula:
C8H9ClOS
Molecular Weight:
188.6745
MDL Number:
MFCD22489772
IUPAC Name:
(3-chloro-4-methylsulfanylphenyl)methanol
InChI:
InChI=1S/C8H9ClOS/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChI Key:
SJGDJDPYUCTRRO-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)Cl)SC
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.006g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.669g/mol
Monoisotopic Mass:
188.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties