dichloro-methyl-phenyl-λ4-sulfane

C7H8Cl2S — CID 137473162

IUPACdichloro-methyl-phenyl-λ4-sulfane
SMILESCS(Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H8Cl2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyRXDUJBZKYGXYQI-UHFFFAOYSA-N
MW195.11 g/mol
LogP3.79
Rot. Bonds1

About dichloro-methyl-phenyl-λ4-sulfane

dichloro-methyl-phenyl-λ4-sulfane (PubChem CID 137473162) has the molecular formula C7H8Cl2S and a molecular weight of 195.11 g/mol. Its IUPAC name is dichloro-methyl-phenyl-λ4-sulfane.

Molecular Properties

Compound Namedichloro-methyl-phenyl-λ4-sulfane
PubChem CID137473162
Molecular FormulaC7H8Cl2S
Molecular Weight195.11 g/mol
Exact Mass193.97
IUPAC Namedichloro-methyl-phenyl-λ4-sulfane
SMILESCS(Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H8Cl2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyRXDUJBZKYGXYQI-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

chloro(triphenyl)-λ4-sulfane
CID 153467777
dihydroxy-methyl-phenyl-λ4-sulfane
CID 58227647
benzene;benzenesulfonyl chloride
CID 87647314
[amino(dichloro)-λ4-sulfanyl]benzene
CID 57478152
methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
benzenesulfonyl chloride;iron
CID 174954068
(N-amino-S-methylsulfonimidoyl)benzene
CID 129116146
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
[(chloro-oxo-phenyl-λ6-sulfanylidene)amino]-trimethylsilane
CID 129405304
ditert-butyl(diphenyl)-λ4-sulfane
CID 57066326
tert-butyl(triphenyl)-λ4-sulfane
CID 68720156
diphenyl-bis(sulfanyl)-λ4-sulfane
CID 21256147

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-phenyl-λ4-sulfane?
The IUPAC name of dichloro-methyl-phenyl-λ4-sulfane (CID 137473162) is dichloro-methyl-phenyl-λ4-sulfane.
What is the SMILES notation for dichloro-methyl-phenyl-λ4-sulfane?
The canonical SMILES for dichloro-methyl-phenyl-λ4-sulfane is CS(Cl)(Cl)c1ccccc1.
What is the InChIKey of dichloro-methyl-phenyl-λ4-sulfane?
The InChIKey is RXDUJBZKYGXYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of dichloro-methyl-phenyl-λ4-sulfane?
dichloro-methyl-phenyl-λ4-sulfane has a molecular weight of 195.11 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-phenyl-λ4-sulfane is sourced from PubChem (CID 137473162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).