2-tetradecyl-2H-thiopyran

C19H34S — CID 70400433

IUPAC2-tetradecyl-2H-thiopyran
SMILESCCCCCCCCCCCCCCC1C=CC=CS1
InChIInChI=1S/C19H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h14-15,17-19H,2-13,16H2,1H3
InChIKeyUDDRRMFVYLQFIH-UHFFFAOYSA-N
MW294.55 g/mol
LogP7.26
Rot. Bonds13

About 2-tetradecyl-2H-thiopyran

2-tetradecyl-2H-thiopyran (PubChem CID 70400433) has the molecular formula C19H34S and a molecular weight of 294.55 g/mol. Its IUPAC name is 2-tetradecyl-2H-thiopyran.

Molecular Properties

Compound Name2-tetradecyl-2H-thiopyran
PubChem CID70400433
Molecular FormulaC19H34S
Molecular Weight294.55 g/mol
Exact Mass294.24
IUPAC Name2-tetradecyl-2H-thiopyran
SMILESCCCCCCCCCCCCCCC1C=CC=CS1
InChIInChI=1S/C19H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h14-15,17-19H,2-13,16H2,1H3
InChIKeyUDDRRMFVYLQFIH-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.55
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-2H-thiopyran
CID 526620
5-undecylcyclopenta-1,3-diene
CID 141280590
2-nonyl-2,3-dihydrothiophene
CID 90878988
2-nonyl-1,2-dihydropyridine
CID 134546505
5-[(E)-non-1-enyl]cyclopenta-1,3-diene
CID 15399897
3-decylcyclobutene
CID 174421846
2-dodecyl-2H-pyridin-1-ium 1-oxide
CID 175886846
1-ethyl-2-hexyl-2H-pyridine
CID 151890426
6-tridecylcyclohexa-2,4-dien-1-one
CID 141201662
1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole
CID 101039931
cyclopenta-2,4-dien-1-yl(diheptyl)phosphane
CID 141347867
1-butyl-2-hexyl-2H-pyridine
CID 141363416

Frequently Asked Questions

What is the IUPAC name of 2-tetradecyl-2H-thiopyran?
The IUPAC name of 2-tetradecyl-2H-thiopyran (CID 70400433) is 2-tetradecyl-2H-thiopyran.
What is the SMILES notation for 2-tetradecyl-2H-thiopyran?
The canonical SMILES for 2-tetradecyl-2H-thiopyran is CCCCCCCCCCCCCCC1C=CC=CS1.
What is the InChIKey of 2-tetradecyl-2H-thiopyran?
The InChIKey is UDDRRMFVYLQFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h14-15,17-19H,2-13,16H2,1H3.
What are the key properties of 2-tetradecyl-2H-thiopyran?
2-tetradecyl-2H-thiopyran has a molecular weight of 294.55 g/mol, XLogP of 7.26, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecyl-2H-thiopyran is sourced from PubChem (CID 70400433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).