sulfane;1,3,5-trichlorobenzene

C6H5Cl3S — CID 174951805

IUPACsulfane;1,3,5-trichlorobenzene
SMILESClc1cc(Cl)cc(Cl)c1.S
InChIInChI=1S/C6H3Cl3.H2S/c7-4-1-5(8)3-6(9)2-4;/h1-3H;1H2
InChIKeyKGIKCQKYJGGTPX-UHFFFAOYSA-N
MW215.53 g/mol
LogP3.76
Rot. Bonds

About sulfane;1,3,5-trichlorobenzene

sulfane;1,3,5-trichlorobenzene (PubChem CID 174951805) has the molecular formula C6H5Cl3S and a molecular weight of 215.53 g/mol. Its IUPAC name is sulfane;1,3,5-trichlorobenzene.

Molecular Properties

Compound Namesulfane;1,3,5-trichlorobenzene
PubChem CID174951805
Molecular FormulaC6H5Cl3S
Molecular Weight215.53 g/mol
Exact Mass213.92
IUPAC Namesulfane;1,3,5-trichlorobenzene
SMILESClc1cc(Cl)cc(Cl)c1.S
InChIInChI=1S/C6H3Cl3.H2S/c7-4-1-5(8)3-6(9)2-4;/h1-3H;1H2
InChIKeyKGIKCQKYJGGTPX-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.53
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;tris(1,3,5-trichlorobenzene)
CID 175444750
3,5-dichlorobenzenethiolate
CID 6951260
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
1,3-dichloro-5-(dichloromethyl)benzene
CID 19898502
sulfurochloridic acid;1,3,5-trichlorobenzene
CID 88739685
CID 174014281
CID 174014281
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
azane;1,3-dichlorobenzene
CID 67301049
1-chloro-3,5-difluorobenzene
CID 159732874
1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine
CID 3878452
1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene
CID 71341722
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109

Frequently Asked Questions

What is the IUPAC name of sulfane;1,3,5-trichlorobenzene?
The IUPAC name of sulfane;1,3,5-trichlorobenzene (CID 174951805) is sulfane;1,3,5-trichlorobenzene.
What is the SMILES notation for sulfane;1,3,5-trichlorobenzene?
The canonical SMILES for sulfane;1,3,5-trichlorobenzene is Clc1cc(Cl)cc(Cl)c1.S.
What is the InChIKey of sulfane;1,3,5-trichlorobenzene?
The InChIKey is KGIKCQKYJGGTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3.H2S/c7-4-1-5(8)3-6(9)2-4;/h1-3H;1H2.
What are the key properties of sulfane;1,3,5-trichlorobenzene?
sulfane;1,3,5-trichlorobenzene has a molecular weight of 215.53 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;1,3,5-trichlorobenzene is sourced from PubChem (CID 174951805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).