dichloro-hexyl-methyl-λ4-sulfane

C7H16Cl2S — CID 142899698

IUPACdichloro-hexyl-methyl-λ4-sulfane
SMILESCCCCCCS(C)(Cl)Cl
InChIInChI=1S/C7H16Cl2S/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3
InChIKeyDDIKXFIPJUIJLQ-UHFFFAOYSA-N
MW203.18 g/mol
LogP4.31
Rot. Bonds5

About dichloro-hexyl-methyl-λ4-sulfane

dichloro-hexyl-methyl-λ4-sulfane (PubChem CID 142899698) has the molecular formula C7H16Cl2S and a molecular weight of 203.18 g/mol. Its IUPAC name is dichloro-hexyl-methyl-λ4-sulfane.

Molecular Properties

Compound Namedichloro-hexyl-methyl-λ4-sulfane
PubChem CID142899698
Molecular FormulaC7H16Cl2S
Molecular Weight203.18 g/mol
Exact Mass202.03
IUPAC Namedichloro-hexyl-methyl-λ4-sulfane
SMILESCCCCCCS(C)(Cl)Cl
InChIInChI=1S/C7H16Cl2S/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3
InChIKeyDDIKXFIPJUIJLQ-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trichloro(octyl)-λ4-sulfane
CID 129156705
trihexyl(methyl)-λ4-sulfane
CID 138739733
heptyl(trimethyl)-λ4-sulfane
CID 155014090
chloro-docosyl-diethyl-λ4-sulfane
CID 163231376
heptane-1-sulfonyl chloride
CID 10878141
trifluoro(octyl)-λ4-sulfane
CID 19024890
butyl-heptyl-dimethyl-λ4-sulfane
CID 123547553
1-methylsulfonylnonane
CID 19089493
hydroxy-dimethyl-octadecyl-λ4-sulfane
CID 163231362
decane;heptane
CID 159049036
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of dichloro-hexyl-methyl-λ4-sulfane?
The IUPAC name of dichloro-hexyl-methyl-λ4-sulfane (CID 142899698) is dichloro-hexyl-methyl-λ4-sulfane.
What is the SMILES notation for dichloro-hexyl-methyl-λ4-sulfane?
The canonical SMILES for dichloro-hexyl-methyl-λ4-sulfane is CCCCCCS(C)(Cl)Cl.
What is the InChIKey of dichloro-hexyl-methyl-λ4-sulfane?
The InChIKey is DDIKXFIPJUIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2S/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3.
What are the key properties of dichloro-hexyl-methyl-λ4-sulfane?
dichloro-hexyl-methyl-λ4-sulfane has a molecular weight of 203.18 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-hexyl-methyl-λ4-sulfane is sourced from PubChem (CID 142899698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).