chloro-bis(propan-2-ylsulfanyl)phosphane

C6H14ClPS2 — CID 15063642

IUPACchloro-bis(propan-2-ylsulfanyl)phosphane
SMILESCC(C)SP(Cl)SC(C)C
InChIInChI=1S/C6H14ClPS2/c1-5(2)9-8(7)10-6(3)4/h5-6H,1-4H3
InChIKeyMZVNTQWPESDKHT-UHFFFAOYSA-N
MW216.74 g/mol
LogP4.74
Rot. Bonds4

About chloro-bis(propan-2-ylsulfanyl)phosphane

chloro-bis(propan-2-ylsulfanyl)phosphane (PubChem CID 15063642) has the molecular formula C6H14ClPS2 and a molecular weight of 216.74 g/mol. Its IUPAC name is chloro-bis(propan-2-ylsulfanyl)phosphane.

Molecular Properties

Compound Namechloro-bis(propan-2-ylsulfanyl)phosphane
PubChem CID15063642
Molecular FormulaC6H14ClPS2
Molecular Weight216.74 g/mol
Exact Mass216.00
IUPAC Namechloro-bis(propan-2-ylsulfanyl)phosphane
SMILESCC(C)SP(Cl)SC(C)C
InChIInChI=1S/C6H14ClPS2/c1-5(2)9-8(7)10-6(3)4/h5-6H,1-4H3
InChIKeyMZVNTQWPESDKHT-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bis(propan-2-ylsulfanyl)phosphane?
The IUPAC name of chloro-bis(propan-2-ylsulfanyl)phosphane (CID 15063642) is chloro-bis(propan-2-ylsulfanyl)phosphane.
What is the SMILES notation for chloro-bis(propan-2-ylsulfanyl)phosphane?
The canonical SMILES for chloro-bis(propan-2-ylsulfanyl)phosphane is CC(C)SP(Cl)SC(C)C.
What is the InChIKey of chloro-bis(propan-2-ylsulfanyl)phosphane?
The InChIKey is MZVNTQWPESDKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClPS2/c1-5(2)9-8(7)10-6(3)4/h5-6H,1-4H3.
What are the key properties of chloro-bis(propan-2-ylsulfanyl)phosphane?
chloro-bis(propan-2-ylsulfanyl)phosphane has a molecular weight of 216.74 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(propan-2-ylsulfanyl)phosphane is sourced from PubChem (CID 15063642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).