Home Other Building Blocks 4-(1,3-DITHIAN-2-YL)PHENOL

4-(1,3-DITHIAN-2-YL)PHENOL

CAS No.:
57529-05-2
Catalog Number:
AG00EGOA
Molecular Formula:
C10H12OS2
Molecular Weight:
212.3317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00EGOA
Chemical Name:
4-(1,3-DITHIAN-2-YL)PHENOL
CAS Number:
57529-05-2
Molecular Formula:
C10H12OS2
Molecular Weight:
212.3317
MDL Number:
MFCD01707439
IUPAC Name:
4-(1,3-dithian-2-yl)phenol
InChI:
InChI=1S/C10H12OS2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10-11H,1,6-7H2
InChI Key:
GNRKGNLBYVFKKD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1SCCCS1
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.325g/mol
Monoisotopic Mass:
212.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties