2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane

C7H10S3 — CID 152668826

IUPAC2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane
SMILESC1SC1CC1SC1C1CS1
InChIInChI=1S/C7H10S3/c1(4-2-8-4)5-7(10-5)6-3-9-6/h4-7H,1-3H2
InChIKeyZLBXFKVVPOOAPJ-UHFFFAOYSA-N
MW190.36 g/mol
LogP2.09
Rot. Bonds3

About 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane

2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane (PubChem CID 152668826) has the molecular formula C7H10S3 and a molecular weight of 190.36 g/mol. Its IUPAC name is 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane.

Molecular Properties

Compound Name2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane
PubChem CID152668826
Molecular FormulaC7H10S3
Molecular Weight190.36 g/mol
Exact Mass189.99
IUPAC Name2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane
SMILESC1SC1CC1SC1C1CS1
InChIInChI=1S/C7H10S3/c1(4-2-8-4)5-7(10-5)6-3-9-6/h4-7H,1-3H2
InChIKeyZLBXFKVVPOOAPJ-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane?
The IUPAC name of 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane (CID 152668826) is 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane.
What is the SMILES notation for 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane?
The canonical SMILES for 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane is C1SC1CC1SC1C1CS1.
What is the InChIKey of 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane?
The InChIKey is ZLBXFKVVPOOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S3/c1(4-2-8-4)5-7(10-5)6-3-9-6/h4-7H,1-3H2.
What are the key properties of 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane?
2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane has a molecular weight of 190.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-yl)-3-(thiiran-2-ylmethyl)thiirane is sourced from PubChem (CID 152668826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).