[chloro(phenyl)methyl]benzene;sulfane

C13H13ClS — CID 139508334

IUPAC[chloro(phenyl)methyl]benzene;sulfane
SMILESClC(c1ccccc1)c1ccccc1.S
InChIInChI=1S/C13H11Cl.H2S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H2
InChIKeySHSODIWNOBPCHF-UHFFFAOYSA-N
MW236.77 g/mol
LogP4.13
Rot. Bonds2

About [chloro(phenyl)methyl]benzene;sulfane

[chloro(phenyl)methyl]benzene;sulfane (PubChem CID 139508334) has the molecular formula C13H13ClS and a molecular weight of 236.77 g/mol. Its IUPAC name is [chloro(phenyl)methyl]benzene;sulfane.

Molecular Properties

Compound Name[chloro(phenyl)methyl]benzene;sulfane
PubChem CID139508334
Molecular FormulaC13H13ClS
Molecular Weight236.77 g/mol
Exact Mass236.04
IUPAC Name[chloro(phenyl)methyl]benzene;sulfane
SMILESClC(c1ccccc1)c1ccccc1.S
InChIInChI=1S/C13H11Cl.H2S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H2
InChIKeySHSODIWNOBPCHF-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[chloro(phenyl)methyl]benzenethiol
CID 174948227
[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
CID 101135261
dichloromethylbenzene
CID 7411
(Chlorobenzyl)silane
CID 23051080
1-[chloro(phenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 2776679
calcium;[chloro(phenyl)methyl]benzene;oxido-oxo-phosphooxyphosphanium
CID 88679181
[(1R)-1-chloroethyl]benzene
CID 642190
dichloromethylbenzene;ethene
CID 157063786
2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene
CID 81476239
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
[chloro(phenyl)methyl]benzene;isocyanic acid;2-phenylpropan-2-ylbenzene
CID 173413700

Frequently Asked Questions

What is the IUPAC name of [chloro(phenyl)methyl]benzene;sulfane?
The IUPAC name of [chloro(phenyl)methyl]benzene;sulfane (CID 139508334) is [chloro(phenyl)methyl]benzene;sulfane.
What is the SMILES notation for [chloro(phenyl)methyl]benzene;sulfane?
The canonical SMILES for [chloro(phenyl)methyl]benzene;sulfane is ClC(c1ccccc1)c1ccccc1.S.
What is the InChIKey of [chloro(phenyl)methyl]benzene;sulfane?
The InChIKey is SHSODIWNOBPCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl.H2S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H2.
What are the key properties of [chloro(phenyl)methyl]benzene;sulfane?
[chloro(phenyl)methyl]benzene;sulfane has a molecular weight of 236.77 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenyl)methyl]benzene;sulfane is sourced from PubChem (CID 139508334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).