2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol

C6H15PS3 — CID 87063793

IUPAC2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol
SMILESSCCP(CCS)CCS
InChIInChI=1S/C6H15PS3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
InChIKeyWCLRBPUYYADRMB-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.26
Rot. Bonds6

About 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol

2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol (PubChem CID 87063793) has the molecular formula C6H15PS3 and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol.

Molecular Properties

Compound Name2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol
PubChem CID87063793
Molecular FormulaC6H15PS3
Molecular Weight214.36 g/mol
Exact Mass214.01
IUPAC Name2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol
SMILESSCCP(CCS)CCS
InChIInChI=1S/C6H15PS3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
InChIKeyWCLRBPUYYADRMB-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol?
The IUPAC name of 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol (CID 87063793) is 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol.
What is the SMILES notation for 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol?
The canonical SMILES for 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol is SCCP(CCS)CCS.
What is the InChIKey of 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol?
The InChIKey is WCLRBPUYYADRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15PS3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2.
What are the key properties of 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol?
2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol has a molecular weight of 214.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-sulfanylethyl)phosphanyl]ethanethiol is sourced from PubChem (CID 87063793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).