6-methylsulfanyl-2H-thiopyran

C6H8S2 — CID 67948501

IUPAC6-methylsulfanyl-2H-thiopyran
SMILESCSC1=CC=CCS1
InChIInChI=1S/C6H8S2/c1-7-6-4-2-3-5-8-6/h2-4H,5H2,1H3
InChIKeyNXININWVDPBFAN-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.49
Rot. Bonds1

About 6-methylsulfanyl-2H-thiopyran

6-methylsulfanyl-2H-thiopyran (PubChem CID 67948501) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 6-methylsulfanyl-2H-thiopyran.

Molecular Properties

Compound Name6-methylsulfanyl-2H-thiopyran
PubChem CID67948501
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name6-methylsulfanyl-2H-thiopyran
SMILESCSC1=CC=CCS1
InChIInChI=1S/C6H8S2/c1-7-6-4-2-3-5-8-6/h2-4H,5H2,1H3
InChIKeyNXININWVDPBFAN-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2H-thiopyran?
The IUPAC name of 6-methylsulfanyl-2H-thiopyran (CID 67948501) is 6-methylsulfanyl-2H-thiopyran.
What is the SMILES notation for 6-methylsulfanyl-2H-thiopyran?
The canonical SMILES for 6-methylsulfanyl-2H-thiopyran is CSC1=CC=CCS1.
What is the InChIKey of 6-methylsulfanyl-2H-thiopyran?
The InChIKey is NXININWVDPBFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2/c1-7-6-4-2-3-5-8-6/h2-4H,5H2,1H3.
What are the key properties of 6-methylsulfanyl-2H-thiopyran?
6-methylsulfanyl-2H-thiopyran has a molecular weight of 144.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2H-thiopyran is sourced from PubChem (CID 67948501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).