6-prop-2-enyl-2H-thiopyran

C8H10S — CID 56626271

IUPAC6-prop-2-enyl-2H-thiopyran
SMILESC=CCC1=CC=CCS1
InChIInChI=1S/C8H10S/c1-2-5-8-6-3-4-7-9-8/h2-4,6H,1,5,7H2
InChIKeyDXCZGAGMDYCMIK-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.75
Rot. Bonds2

About 6-prop-2-enyl-2H-thiopyran

6-prop-2-enyl-2H-thiopyran (PubChem CID 56626271) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is 6-prop-2-enyl-2H-thiopyran.

Molecular Properties

Compound Name6-prop-2-enyl-2H-thiopyran
PubChem CID56626271
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name6-prop-2-enyl-2H-thiopyran
SMILESC=CCC1=CC=CCS1
InChIInChI=1S/C8H10S/c1-2-5-8-6-3-4-7-9-8/h2-4,6H,1,5,7H2
InChIKeyDXCZGAGMDYCMIK-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydrothiepine
CID 640540
3,6-Dihydro-2H-thiopyran
CID 567880
2-methyl-(2H)-thiapyran
CID 527054
4-(Cyclopenta-2,4-dien-1-ylidene)thiane
CID 12926918
2-Methyl-5,6-dihydrothiopyran
CID 13615975
Dithiopyrylmethane
CID 14420634
6-ethyl-2H-thiopyran
CID 19737637
4-Ethylthiocyclopentadiene
CID 68403138
Bithiapyranylidene
CID 68503553
Di(1-cyclohepta-2,4,6-trienyl)sulfane
CID 86130057
Cyclopentadienylsulfide
CID 100951032
2-Ethyl-1-methylthiophen-1-ium
CID 138976345

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-2H-thiopyran?
The IUPAC name of 6-prop-2-enyl-2H-thiopyran (CID 56626271) is 6-prop-2-enyl-2H-thiopyran.
What is the SMILES notation for 6-prop-2-enyl-2H-thiopyran?
The canonical SMILES for 6-prop-2-enyl-2H-thiopyran is C=CCC1=CC=CCS1.
What is the InChIKey of 6-prop-2-enyl-2H-thiopyran?
The InChIKey is DXCZGAGMDYCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-2-5-8-6-3-4-7-9-8/h2-4,6H,1,5,7H2.
What are the key properties of 6-prop-2-enyl-2H-thiopyran?
6-prop-2-enyl-2H-thiopyran has a molecular weight of 138.23 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-2H-thiopyran is sourced from PubChem (CID 56626271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).