Home Halogens Carbonochloridothioic acid, anhydrosulfide with thiohypochlorous acid (9CI)

Carbonochloridothioic acid, anhydrosulfide with thiohypochlorous acid (9CI)

CAS No.:
2757-23-5
Catalog Number:
AG002U3W
Molecular Formula:
CCl2OS
Molecular Weight:
130.9811
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97.0%(T)
1 week
United States
$114
- +
25g
>97.0%(T)
1 week
United States
$266
- +
Product Description
Catalog Number:
AG002U3W
Chemical Name:
Carbonochloridothioic acid, anhydrosulfide with thiohypochlorous acid (9CI)
CAS Number:
2757-23-5
Molecular Formula:
CCl2OS
Molecular Weight:
130.9811
MDL Number:
MFCD00000703
IUPAC Name:
S-chloro chloromethanethioate
InChI:
InChI=1S/CCl2OS/c2-1(4)5-3
InChI Key:
MNOALXGAYUJNKX-UHFFFAOYSA-N
SMILES:
ClSC(=O)Cl
EC Number:
220-415-2
Properties
Complexity:
44.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.905g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.97g/mol
Monoisotopic Mass:
129.905g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
4-(5-Oxo-5H-1,2,4-dithia-zol-3-yl)phenyl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20120201
5-Ethyl-5-methyl-4-phenyl-5H-1,2,4-triazol-3(4H)-thione. Acta crystallographica. Section E, Structure reports online 20100901
4-Methyl-N-(3-oxo-2,3-dihydro-1,2-benzisothia-zol-2-yl)benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20090201
Synthesis, structure and reactivity of 5-pyranosyl-1,3,4-oxathiazol-2-ones. Carbohydrate research 20060116
Ionic fragmentation on ClC(O)SCl. Evidence of a highly charged molecular ion and confirmation of unusual dissociation mechanisms for halocarbonylsulfenyl chlorides. The journal of physical chemistry. A 20050120
Properties