Home Carboxys 4-Methylthiane-4-carboxylic acid

4-Methylthiane-4-carboxylic acid

CAS No.:
1262411-34-6
Catalog Number:
AG000SEZ
Molecular Formula:
C7H12O2S
Molecular Weight:
160.2340
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$414
- +
Product Description
Catalog Number:
AG000SEZ
Chemical Name:
4-Methylthiane-4-carboxylic acid
CAS Number:
1262411-34-6
Molecular Formula:
C7H12O2S
Molecular Weight:
160.2340
MDL Number:
MFCD18374657
IUPAC Name:
4-methylthiane-4-carboxylic acid
InChI:
InChI=1S/C7H12O2S/c1-7(6(8)9)2-4-10-5-3-7/h2-5H2,1H3,(H,8,9)
InChI Key:
RQTKXRQKRYWHBE-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCSCC1
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.056g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.231g/mol
Monoisotopic Mass:
160.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties