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Home Halogens Trichloromethanesulfenyl chloride

Trichloromethanesulfenyl chloride

CAS No.:
594-42-3
Catalog Number:
AG003V0R
Molecular Formula:
CCl4S
Molecular Weight:
185.8877
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Product Description
Catalog Number:
AG003V0R
Chemical Name:
Trichloromethanesulfenyl chloride
CAS Number:
594-42-3
Molecular Formula:
CCl4S
Molecular Weight:
185.8877
MDL Number:
MFCD00037054
IUPAC Name:
trichloromethyl thiohypochlorite
InChI:
InChI=1S/CCl4S/c2-1(3,4)6-5
InChI Key:
RYFZYYUIAZYQLC-UHFFFAOYSA-N
SMILES:
ClSC(Cl)(Cl)Cl
EC Number:
209-840-4
UNII:
KK489OII9M
NSC Number:
66404
RTECS Number:
PB0370000
UN Number:
1670
Properties
Complexity:
37.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.845g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.871g/mol
Monoisotopic Mass:
183.847g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
HeI photoelectron spectroscopy and theoretical study of trichloromethanesulfenyl acetate, CCl3SOC(O)CH3, and trichloromethanesulfenyl trifluoroacetate, CCl3SOC(O)CF3. The journal of physical chemistry. A 20070614
Three-fold barrier and normal coordinate analyses of (trihalomethyl)sulfenyl halides CX3-SX (X = F and Cl). Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050301
Properties