chloro(propan-2-ylsulfanylmethyl)phosphane

C4H10ClPS — CID 170850906

IUPACchloro(propan-2-ylsulfanylmethyl)phosphane
SMILESCC(C)SCPCl
InChIInChI=1S/C4H10ClPS/c1-4(2)7-3-6-5/h4,6H,3H2,1-2H3
InChIKeyBTWXTTHBPJMTCP-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.92
Rot. Bonds3

About chloro(propan-2-ylsulfanylmethyl)phosphane

chloro(propan-2-ylsulfanylmethyl)phosphane (PubChem CID 170850906) has the molecular formula C4H10ClPS and a molecular weight of 156.62 g/mol. Its IUPAC name is chloro(propan-2-ylsulfanylmethyl)phosphane.

Molecular Properties

Compound Namechloro(propan-2-ylsulfanylmethyl)phosphane
PubChem CID170850906
Molecular FormulaC4H10ClPS
Molecular Weight156.62 g/mol
Exact Mass155.99
IUPAC Namechloro(propan-2-ylsulfanylmethyl)phosphane
SMILESCC(C)SCPCl
InChIInChI=1S/C4H10ClPS/c1-4(2)7-3-6-5/h4,6H,3H2,1-2H3
InChIKeyBTWXTTHBPJMTCP-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(propan-2-ylsulfanylmethyl)phosphane?
The IUPAC name of chloro(propan-2-ylsulfanylmethyl)phosphane (CID 170850906) is chloro(propan-2-ylsulfanylmethyl)phosphane.
What is the SMILES notation for chloro(propan-2-ylsulfanylmethyl)phosphane?
The canonical SMILES for chloro(propan-2-ylsulfanylmethyl)phosphane is CC(C)SCPCl.
What is the InChIKey of chloro(propan-2-ylsulfanylmethyl)phosphane?
The InChIKey is BTWXTTHBPJMTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClPS/c1-4(2)7-3-6-5/h4,6H,3H2,1-2H3.
What are the key properties of chloro(propan-2-ylsulfanylmethyl)phosphane?
chloro(propan-2-ylsulfanylmethyl)phosphane has a molecular weight of 156.62 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(propan-2-ylsulfanylmethyl)phosphane is sourced from PubChem (CID 170850906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).