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Home Halogens Carbonothioic acid, anhydrosulfide with thiohypochlorous acid (1:1), methyl ester

Carbonothioic acid, anhydrosulfide with thiohypochlorous acid (1:1), methyl ester

CAS No.:
26555-40-8
Catalog Number:
AG002TO5
Molecular Formula:
C2H3ClO2S
Molecular Weight:
126.5620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>96.0%(T)
1 week
United States
$175
- +
25g
>96.0%(T)
1 week
United States
$474
- +
Product Description
Catalog Number:
AG002TO5
Chemical Name:
Carbonothioic acid, anhydrosulfide with thiohypochlorous acid (1:1), methyl ester
CAS Number:
26555-40-8
Molecular Formula:
C2H3ClO2S
Molecular Weight:
126.5620
MDL Number:
MFCD00013648
IUPAC Name:
methyl chlorosulfanylformate
InChI:
InChI=1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3
InChI Key:
TXJXPZVVSLAQOQ-UHFFFAOYSA-N
SMILES:
COC(=O)SCl
EC Number:
247-801-3
Properties
Complexity:
55.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.954g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.554g/mol
Monoisotopic Mass:
125.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Nonvolatile S-alk(en)ylthio-L-cysteine derivatives in fresh onion (Allium cepa L. cultivar). Journal of agricultural and food chemistry 20110914
Dissociative photoionization of methoxycarbonylsulfenyl chloride, CH3OC(O)SCl, following sulfur 2p, chlorine 2p, and oxygen 1s excitations. The journal of physical chemistry. A 20070823
Anomeric and mesomeric effects in methoxycarbonylsulfenyl chloride, CH(3)OC(O)SCl: an experimental and theoretical study. Inorganic chemistry 20020311
Properties