2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran

C11H12S2 — CID 14420634

IUPAC2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran
SMILESC1=CSC(CC2C=CC=CS2)C=C1
InChIInChI=1S/C11H12S2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h1-8,10-11H,9H2
InChIKeyCVOGYDSFVACJAC-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.75
Rot. Bonds2

About 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran

2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran (PubChem CID 14420634) has the molecular formula C11H12S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran.

Molecular Properties

Compound Name2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran
PubChem CID14420634
Molecular FormulaC11H12S2
Molecular Weight208.35 g/mol
Exact Mass208.04
IUPAC Name2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran
SMILESC1=CSC(CC2C=CC=CS2)C=C1
InChIInChI=1S/C11H12S2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h1-8,10-11H,9H2
InChIKeyCVOGYDSFVACJAC-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran?
The IUPAC name of 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran (CID 14420634) is 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran.
What is the SMILES notation for 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran?
The canonical SMILES for 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran is C1=CSC(CC2C=CC=CS2)C=C1.
What is the InChIKey of 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran?
The InChIKey is CVOGYDSFVACJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h1-8,10-11H,9H2.
What are the key properties of 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran?
2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran has a molecular weight of 208.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-thiopyran-2-ylmethyl)-2H-thiopyran is sourced from PubChem (CID 14420634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).