trichloro(propan-2-yl)-λ4-sulfane

C3H7Cl3S — CID 134928446

IUPACtrichloro(propan-2-yl)-λ4-sulfane
SMILESCC(C)S(Cl)(Cl)Cl
InChIInChI=1S/C3H7Cl3S/c1-3(2)7(4,5)6/h3H,1-2H3
InChIKeyCTLPYXQOMZEVDA-UHFFFAOYSA-N
MW181.52 g/mol
LogP3.66
Rot. Bonds1

About trichloro(propan-2-yl)-λ4-sulfane

trichloro(propan-2-yl)-λ4-sulfane (PubChem CID 134928446) has the molecular formula C3H7Cl3S and a molecular weight of 181.52 g/mol. Its IUPAC name is trichloro(propan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrichloro(propan-2-yl)-λ4-sulfane
PubChem CID134928446
Molecular FormulaC3H7Cl3S
Molecular Weight181.52 g/mol
Exact Mass179.93
IUPAC Nametrichloro(propan-2-yl)-λ4-sulfane
SMILESCC(C)S(Cl)(Cl)Cl
InChIInChI=1S/C3H7Cl3S/c1-3(2)7(4,5)6/h3H,1-2H3
InChIKeyCTLPYXQOMZEVDA-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trichloro(propan-2-yl)-λ4-sulfane?
The IUPAC name of trichloro(propan-2-yl)-λ4-sulfane (CID 134928446) is trichloro(propan-2-yl)-λ4-sulfane.
What is the SMILES notation for trichloro(propan-2-yl)-λ4-sulfane?
The canonical SMILES for trichloro(propan-2-yl)-λ4-sulfane is CC(C)S(Cl)(Cl)Cl.
What is the InChIKey of trichloro(propan-2-yl)-λ4-sulfane?
The InChIKey is CTLPYXQOMZEVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl3S/c1-3(2)7(4,5)6/h3H,1-2H3.
What are the key properties of trichloro(propan-2-yl)-λ4-sulfane?
trichloro(propan-2-yl)-λ4-sulfane has a molecular weight of 181.52 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(propan-2-yl)-λ4-sulfane is sourced from PubChem (CID 134928446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).