1-(1,3,5-trithian-2-yl)ethanethiol

C5H10S4 — CID 174398696

IUPAC1-(1,3,5-trithian-2-yl)ethanethiol
SMILESCC(S)C1SCSCS1
InChIInChI=1S/C5H10S4/c1-4(6)5-8-2-7-3-9-5/h4-6H,2-3H2,1H3
InChIKeyXTKGEYQRRYHSQI-UHFFFAOYSA-N
MW198.40 g/mol
LogP2.76
Rot. Bonds1

About 1-(1,3,5-trithian-2-yl)ethanethiol

1-(1,3,5-trithian-2-yl)ethanethiol (PubChem CID 174398696) has the molecular formula C5H10S4 and a molecular weight of 198.40 g/mol. Its IUPAC name is 1-(1,3,5-trithian-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(1,3,5-trithian-2-yl)ethanethiol
PubChem CID174398696
Molecular FormulaC5H10S4
Molecular Weight198.40 g/mol
Exact Mass197.97
IUPAC Name1-(1,3,5-trithian-2-yl)ethanethiol
SMILESCC(S)C1SCSCS1
InChIInChI=1S/C5H10S4/c1-4(6)5-8-2-7-3-9-5/h4-6H,2-3H2,1H3
InChIKeyXTKGEYQRRYHSQI-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dithiolan-2-yl)ethanethiol
CID 174424849
1-(1,3,5-trithian-2-yl)ethanol
CID 22891749
1-[4-(1-sulfanylpropyl)-1,3,5-trithian-2-yl]propane-1-thiol
CID 22238756
3-propan-2-yl-1,2,4-trithiolane
CID 45096303
1,3,5-trithian-2-ylmethanetrithiol
CID 22238736
1-(1,3-dithiolan-4-yl)ethanol
CID 174420309
1-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]propane-2-thiol
CID 22670248
1-(oxiran-2-yl)ethanethiol
CID 141230840
1-(azetidin-3-yl)ethanethiol
CID 123520363
1-(1,3-dioxolan-2-yl)ethanethiol
CID 123704944
1-[1-[3-[1-(1-sulfanylethylsulfanyl)ethyl]-1,4-dithian-2-yl]ethylsulfanyl]ethanethiol
CID 87773221
(4R)-4-methyl-1,3-dithiane
CID 101261915

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trithian-2-yl)ethanethiol?
The IUPAC name of 1-(1,3,5-trithian-2-yl)ethanethiol (CID 174398696) is 1-(1,3,5-trithian-2-yl)ethanethiol.
What is the SMILES notation for 1-(1,3,5-trithian-2-yl)ethanethiol?
The canonical SMILES for 1-(1,3,5-trithian-2-yl)ethanethiol is CC(S)C1SCSCS1.
What is the InChIKey of 1-(1,3,5-trithian-2-yl)ethanethiol?
The InChIKey is XTKGEYQRRYHSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S4/c1-4(6)5-8-2-7-3-9-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-(1,3,5-trithian-2-yl)ethanethiol?
1-(1,3,5-trithian-2-yl)ethanethiol has a molecular weight of 198.40 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trithian-2-yl)ethanethiol is sourced from PubChem (CID 174398696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).