1-sulfanylidene-2H-thiopyran

C5H6S2 — CID 70472635

IUPAC1-sulfanylidene-2H-thiopyran
SMILESS=S1C=CC=CC1
InChIInChI=1S/C5H6S2/c6-7-4-2-1-3-5-7/h1-4H,5H2
InChIKeyGKFYMKDPIPTKOT-UHFFFAOYSA-N
MW130.24 g/mol
LogP1.15
Rot. Bonds

About 1-sulfanylidene-2H-thiopyran

1-sulfanylidene-2H-thiopyran (PubChem CID 70472635) has the molecular formula C5H6S2 and a molecular weight of 130.24 g/mol. Its IUPAC name is 1-sulfanylidene-2H-thiopyran.

Molecular Properties

Compound Name1-sulfanylidene-2H-thiopyran
PubChem CID70472635
Molecular FormulaC5H6S2
Molecular Weight130.24 g/mol
Exact Mass129.99
IUPAC Name1-sulfanylidene-2H-thiopyran
SMILESS=S1C=CC=CC1
InChIInChI=1S/C5H6S2/c6-7-4-2-1-3-5-7/h1-4H,5H2
InChIKeyGKFYMKDPIPTKOT-UHFFFAOYSA-N
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanylidene-2H-thiopyran?
The IUPAC name of 1-sulfanylidene-2H-thiopyran (CID 70472635) is 1-sulfanylidene-2H-thiopyran.
What is the SMILES notation for 1-sulfanylidene-2H-thiopyran?
The canonical SMILES for 1-sulfanylidene-2H-thiopyran is S=S1C=CC=CC1.
What is the InChIKey of 1-sulfanylidene-2H-thiopyran?
The InChIKey is GKFYMKDPIPTKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S2/c6-7-4-2-1-3-5-7/h1-4H,5H2.
What are the key properties of 1-sulfanylidene-2H-thiopyran?
1-sulfanylidene-2H-thiopyran has a molecular weight of 130.24 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylidene-2H-thiopyran is sourced from PubChem (CID 70472635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).