5-methylsulfanyltrithiane

C4H8S4 — CID 12781306

IUPAC5-methylsulfanyltrithiane
SMILESCSC1CSSSC1
InChIInChI=1S/C4H8S4/c1-5-4-2-6-8-7-3-4/h4H,2-3H2,1H3
InChIKeyODHKXUGQCUIHLQ-UHFFFAOYSA-N
MW184.38 g/mol
LogP2.76
Rot. Bonds1

About 5-methylsulfanyltrithiane

5-methylsulfanyltrithiane (PubChem CID 12781306) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is 5-methylsulfanyltrithiane.

Molecular Properties

Compound Name5-methylsulfanyltrithiane
PubChem CID12781306
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name5-methylsulfanyltrithiane
SMILESCSC1CSSSC1
InChIInChI=1S/C4H8S4/c1-5-4-2-6-8-7-3-4/h4H,2-3H2,1H3
InChIKeyODHKXUGQCUIHLQ-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dimethyl-1,2,4,5-tetrathiane
CID 526613
4,6-Diethyl-1,2,3,5-tetrathiane
CID 529378
2,5-Dimethyl-1,4-dithiane
CID 51520
1,2,4,5-Tetrathiane, 3,6-diethyl-
CID 12579750
4,6-Dimethyl-1,2,3,5-tetrathiane
CID 526622
4-Methyl-1,3-dithiane
CID 303710
2-Methylsulfanyl-1,3-dithiane
CID 303716
5,5-Dimethyl-1,2,3,4-tetrathiane
CID 16664423
Di-(2-methylthioethyl)disulphide
CID 85846473
1,4-Dithiane, methyl
CID 524173
2-Methyl-1,3,5-trithiane
CID 287547
2,2-Bis(methylsulfanyl)-1,3-dithiane
CID 10921827

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyltrithiane?
The IUPAC name of 5-methylsulfanyltrithiane (CID 12781306) is 5-methylsulfanyltrithiane.
What is the SMILES notation for 5-methylsulfanyltrithiane?
The canonical SMILES for 5-methylsulfanyltrithiane is CSC1CSSSC1.
What is the InChIKey of 5-methylsulfanyltrithiane?
The InChIKey is ODHKXUGQCUIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4/c1-5-4-2-6-8-7-3-4/h4H,2-3H2,1H3.
What are the key properties of 5-methylsulfanyltrithiane?
5-methylsulfanyltrithiane has a molecular weight of 184.38 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyltrithiane is sourced from PubChem (CID 12781306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).