2,6-bis(thiiran-2-yl)thiane

C9H14S3 — CID 87706700

IUPAC2,6-bis(thiiran-2-yl)thiane
SMILESC1CC(C2CS2)SC(C2CS2)C1
InChIInChI=1S/C9H14S3/c1-2-6(8-4-10-8)12-7(3-1)9-5-11-9/h6-9H,1-5H2
InChIKeyOWNZXQRUPLGWLT-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.87
Rot. Bonds2

About 2,6-bis(thiiran-2-yl)thiane

2,6-bis(thiiran-2-yl)thiane (PubChem CID 87706700) has the molecular formula C9H14S3 and a molecular weight of 218.41 g/mol. Its IUPAC name is 2,6-bis(thiiran-2-yl)thiane.

Molecular Properties

Compound Name2,6-bis(thiiran-2-yl)thiane
PubChem CID87706700
Molecular FormulaC9H14S3
Molecular Weight218.41 g/mol
Exact Mass218.03
IUPAC Name2,6-bis(thiiran-2-yl)thiane
SMILESC1CC(C2CS2)SC(C2CS2)C1
InChIInChI=1S/C9H14S3/c1-2-6(8-4-10-8)12-7(3-1)9-5-11-9/h6-9H,1-5H2
InChIKeyOWNZXQRUPLGWLT-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.87
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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Related Compounds

2-[4-(Thiiran-2-yl)butyl]thiirane
CID 12666045
2-Methyl-3-[2-(3-methylthiiran-2-yl)ethyl]thiirane
CID 17781163
2-Methyl-3-[4-(3-methylthiiran-2-yl)butyl]thiirane
CID 17781174
2-[[6-(Thiiran-2-ylmethylsulfanylmethyl)telluran-2-yl]methylsulfanylmethyl]thiirane
CID 18410039
1-[3-[2-Selanylidene-3-(thiiran-2-yl)propyl]-1,4-diselenan-2-yl]-3-(thiiran-2-yl)propane-2-selone
CID 18410061
1-[2-[2-Selanylidene-3-(thiiran-2-yl)propyl]-1,3-diselenan-4-yl]-3-(thiiran-2-yl)propane-2-selone
CID 18410073
2-[[3-(Thiiran-2-ylmethyl)-1,4-diselenan-2-yl]methyl]thiirane
CID 18410093
2-[3-(Thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane
CID 18410095
2-[[3-(Thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane
CID 18410097
2-(Thiiran-2-yl)-1-[3-[2-(thiiran-2-yl)ethaneselenoyl]-1,4-diselenan-2-yl]ethaneselone
CID 18430378
1-[6-[2-Tellanylidene-3-(thiiran-2-yl)propyl]-1,4-ditelluran-2-yl]-3-(thiiran-2-yl)propane-2-tellone
CID 21987880
2-Methyl-3-[3-(3-methylthiiran-2-yl)propyl]thiirane
CID 21988038

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(thiiran-2-yl)thiane?
The IUPAC name of 2,6-bis(thiiran-2-yl)thiane (CID 87706700) is 2,6-bis(thiiran-2-yl)thiane.
What is the SMILES notation for 2,6-bis(thiiran-2-yl)thiane?
The canonical SMILES for 2,6-bis(thiiran-2-yl)thiane is C1CC(C2CS2)SC(C2CS2)C1.
What is the InChIKey of 2,6-bis(thiiran-2-yl)thiane?
The InChIKey is OWNZXQRUPLGWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S3/c1-2-6(8-4-10-8)12-7(3-1)9-5-11-9/h6-9H,1-5H2.
What are the key properties of 2,6-bis(thiiran-2-yl)thiane?
2,6-bis(thiiran-2-yl)thiane has a molecular weight of 218.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(thiiran-2-yl)thiane is sourced from PubChem (CID 87706700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).