Home Other Building Blocks 2-(ISOPROPYLTHIO)ETHANOL

2-(ISOPROPYLTHIO)ETHANOL

CAS No.:
40811-49-2
Catalog Number:
AG003F2U
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003F2U
Chemical Name:
2-(ISOPROPYLTHIO)ETHANOL
CAS Number:
40811-49-2
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
MDL Number:
MFCD00014038
IUPAC Name:
2-propan-2-ylsulfanylethanol
InChI:
InChI=1S/C5H12OS/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
InChI Key:
QGONIKZRWOOHBB-UHFFFAOYSA-N
SMILES:
OCCSC(C)C
EC Number:
255-090-6
NSC Number:
403991
Properties
Complexity:
37.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.061g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
120.21g/mol
Monoisotopic Mass:
120.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties