200,000+ products from a single source!
sales@angenechem.com
16849-98-2 | Acetic acid, 2-mercapto-, cyclohexyl ester
CAS No: 16849-98-2 Catalog No: AG001Y3B MDL No:MFCD00046348
Product Description
Catalog Number:
AG001Y3B
Chemical Name:
Acetic acid, 2-mercapto-, cyclohexyl ester
CAS Number:
16849-98-2
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
MDL Number:
MFCD00046348
IUPAC Name:
cyclohexyl 2-sulfanylacetate
InChI:
InChI=1S/C8H14O2S/c9-8(6-11)10-7-4-2-1-3-5-7/h7,11H,1-6H2
InChI Key:
DHQYDHVETSVMKQ-UHFFFAOYSA-N
SMILES:
SCC(=O)OC1CCCCC1
EC Number:
240-874-2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.258g/mol
Monoisotopic Mass:
174.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.