(4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane

C4H8S4 — CID 6428817

IUPAC(4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane
SMILESC[C@@H]1SSS[C@H](C)S1
InChIInChI=1S/C4H8S4/c1-3-5-4(2)7-8-6-3/h3-4H,1-2H3/t3-,4+
InChIKeyLIAYFMNHMJEGEI-ZXZARUISSA-N
MW184.38 g/mol
LogP3.45
Rot. Bonds

About (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane

(4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane (PubChem CID 6428817) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane.

Molecular Properties

Compound Name(4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane
PubChem CID6428817
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name(4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane
SMILESC[C@@H]1SSS[C@H](C)S1
InChIInChI=1S/C4H8S4/c1-3-5-4(2)7-8-6-3/h3-4H,1-2H3/t3-,4+
InChIKeyLIAYFMNHMJEGEI-ZXZARUISSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 53.45
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

1,4-Dithiane
CID 10452
2,4,6-Trimethyl-1,3,5-trithiane
CID 17696
3-Methyl-1,2,4-trithiane
CID 65290
Ethane, 1,1-bis(ethylthio)-
CID 139711
2-Methyl-1,3-dithiane
CID 22329
2-Ethyl-1,3-dithiane
CID 521915
4,6-Diethyl-1,2,3,5-tetrathiane
CID 529378
Ethyl 1-(ethylthio)ethyl disulfide
CID 15109870
4,6-Dimethyl-1,2,3,5-tetrathiane
CID 526622
3-Methyl-2,4-dithiahexane
CID 525448
1-Methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane
CID 12687136
5-Methylthio-1,2,3-trithiane
CID 12781306

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane?
The IUPAC name of (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane (CID 6428817) is (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane.
What is the SMILES notation for (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane?
The canonical SMILES for (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane is C[C@@H]1SSS[C@H](C)S1.
What is the InChIKey of (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane?
The InChIKey is LIAYFMNHMJEGEI-ZXZARUISSA-N. The full InChI is InChI=1S/C4H8S4/c1-3-5-4(2)7-8-6-3/h3-4H,1-2H3/t3-,4+.
What are the key properties of (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane?
(4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane has a molecular weight of 184.38 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4,6-dimethyl-1,2,3,5-tetrathiane is sourced from PubChem (CID 6428817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).