Home Other Building Blocks Acetic acid, [(2-hydroxyethyl)dithio]-, methyl ester

Acetic acid, [(2-hydroxyethyl)dithio]-, methyl ester

CAS No.:
877864-13-6
Catalog Number:
AG01DTBQ
Molecular Formula:
C5H10O3S2
Molecular Weight:
182.2611
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Product Description
Catalog Number:
AG01DTBQ
Chemical Name:
Acetic acid, [(2-hydroxyethyl)dithio]-, methyl ester
CAS Number:
877864-13-6
Molecular Formula:
C5H10O3S2
Molecular Weight:
182.2611
MDL Number:
MFCD31604214
IUPAC Name:
methyl 2-(2-hydroxyethyldisulfanyl)acetate
InChI:
InChI=1S/C5H10O3S2/c1-8-5(7)4-10-9-3-2-6/h6H,2-4H2,1H3
InChI Key:
SHTCPUXJYSOEQT-UHFFFAOYSA-N
SMILES:
COC(=O)CSSCCO
Properties
Complexity:
96.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.007g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.252g/mol
Monoisotopic Mass:
182.007g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties