sulfane;1,3,5-trithiane

C3H8S4 — CID 174897145

IUPACsulfane;1,3,5-trithiane
SMILESC1SCSCS1.S
InChIInChI=1S/C3H6S3.H2S/c1-4-2-6-3-5-1;/h1-3H2;1H2
InChIKeyRWIPKQFLHQHSFZ-UHFFFAOYSA-N
MW172.36 g/mol
LogP2.18
Rot. Bonds

About sulfane;1,3,5-trithiane

sulfane;1,3,5-trithiane (PubChem CID 174897145) has the molecular formula C3H8S4 and a molecular weight of 172.36 g/mol. Its IUPAC name is sulfane;1,3,5-trithiane.

Molecular Properties

Compound Namesulfane;1,3,5-trithiane
PubChem CID174897145
Molecular FormulaC3H8S4
Molecular Weight172.36 g/mol
Exact Mass171.95
IUPAC Namesulfane;1,3,5-trithiane
SMILESC1SCSCS1.S
InChIInChI=1S/C3H6S3.H2S/c1-4-2-6-3-5-1;/h1-3H2;1H2
InChIKeyRWIPKQFLHQHSFZ-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sulfane;1,3,5-trithiane?
The IUPAC name of sulfane;1,3,5-trithiane (CID 174897145) is sulfane;1,3,5-trithiane.
What is the SMILES notation for sulfane;1,3,5-trithiane?
The canonical SMILES for sulfane;1,3,5-trithiane is C1SCSCS1.S.
What is the InChIKey of sulfane;1,3,5-trithiane?
The InChIKey is RWIPKQFLHQHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S3.H2S/c1-4-2-6-3-5-1;/h1-3H2;1H2.
What are the key properties of sulfane;1,3,5-trithiane?
sulfane;1,3,5-trithiane has a molecular weight of 172.36 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;1,3,5-trithiane is sourced from PubChem (CID 174897145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).