3-(trimethyl-λ4-sulfanyl)propane-1-thiol

C6H16S2 — CID 59184517

IUPAC3-(trimethyl-λ4-sulfanyl)propane-1-thiol
SMILESCS(C)(C)CCCS
InChIInChI=1S/C6H16S2/c1-8(2,3)6-4-5-7/h7H,4-6H2,1-3H3
InChIKeyQSKJCUBQGFGUMX-UHFFFAOYSA-N
MW152.33 g/mol
LogP2.00
Rot. Bonds3

About 3-(trimethyl-λ4-sulfanyl)propane-1-thiol

3-(trimethyl-λ4-sulfanyl)propane-1-thiol (PubChem CID 59184517) has the molecular formula C6H16S2 and a molecular weight of 152.33 g/mol. Its IUPAC name is 3-(trimethyl-λ4-sulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(trimethyl-λ4-sulfanyl)propane-1-thiol
PubChem CID59184517
Molecular FormulaC6H16S2
Molecular Weight152.33 g/mol
Exact Mass152.07
IUPAC Name3-(trimethyl-λ4-sulfanyl)propane-1-thiol
SMILESCS(C)(C)CCCS
InChIInChI=1S/C6H16S2/c1-8(2,3)6-4-5-7/h7H,4-6H2,1-3H3
InChIKeyQSKJCUBQGFGUMX-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trimethyl-λ4-sulfanyl)propane-1-thiol?
The IUPAC name of 3-(trimethyl-λ4-sulfanyl)propane-1-thiol (CID 59184517) is 3-(trimethyl-λ4-sulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(trimethyl-λ4-sulfanyl)propane-1-thiol?
The canonical SMILES for 3-(trimethyl-λ4-sulfanyl)propane-1-thiol is CS(C)(C)CCCS.
What is the InChIKey of 3-(trimethyl-λ4-sulfanyl)propane-1-thiol?
The InChIKey is QSKJCUBQGFGUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16S2/c1-8(2,3)6-4-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 3-(trimethyl-λ4-sulfanyl)propane-1-thiol?
3-(trimethyl-λ4-sulfanyl)propane-1-thiol has a molecular weight of 152.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethyl-λ4-sulfanyl)propane-1-thiol is sourced from PubChem (CID 59184517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).