1,3,6-tris(ethenylsulfanyl)naphthalene

C16H14S3 — CID 171774524

IUPAC1,3,6-tris(ethenylsulfanyl)naphthalene
SMILESC=CSc1ccc2c(SC=C)cc(SC=C)cc2c1
InChIInChI=1S/C16H14S3/c1-4-17-13-7-8-15-12(9-13)10-14(18-5-2)11-16(15)19-6-3/h4-11H,1-3H2
InChIKeyMWEFQGSNNZRUAF-UHFFFAOYSA-N
MW302.49 g/mol
LogP6.55
Rot. Bonds6

About 1,3,6-tris(ethenylsulfanyl)naphthalene

1,3,6-tris(ethenylsulfanyl)naphthalene (PubChem CID 171774524) has the molecular formula C16H14S3 and a molecular weight of 302.49 g/mol. Its IUPAC name is 1,3,6-tris(ethenylsulfanyl)naphthalene.

Molecular Properties

Compound Name1,3,6-tris(ethenylsulfanyl)naphthalene
PubChem CID171774524
Molecular FormulaC16H14S3
Molecular Weight302.49 g/mol
Exact Mass302.03
IUPAC Name1,3,6-tris(ethenylsulfanyl)naphthalene
SMILESC=CSc1ccc2c(SC=C)cc(SC=C)cc2c1
InChIInChI=1S/C16H14S3/c1-4-17-13-7-8-15-12(9-13)10-14(18-5-2)11-16(15)19-6-3/h4-11H,1-3H2
InChIKeyMWEFQGSNNZRUAF-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-tris(ethenylsulfanyl)naphthalene?
The IUPAC name of 1,3,6-tris(ethenylsulfanyl)naphthalene (CID 171774524) is 1,3,6-tris(ethenylsulfanyl)naphthalene.
What is the SMILES notation for 1,3,6-tris(ethenylsulfanyl)naphthalene?
The canonical SMILES for 1,3,6-tris(ethenylsulfanyl)naphthalene is C=CSc1ccc2c(SC=C)cc(SC=C)cc2c1.
What is the InChIKey of 1,3,6-tris(ethenylsulfanyl)naphthalene?
The InChIKey is MWEFQGSNNZRUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S3/c1-4-17-13-7-8-15-12(9-13)10-14(18-5-2)11-16(15)19-6-3/h4-11H,1-3H2.
What are the key properties of 1,3,6-tris(ethenylsulfanyl)naphthalene?
1,3,6-tris(ethenylsulfanyl)naphthalene has a molecular weight of 302.49 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-tris(ethenylsulfanyl)naphthalene is sourced from PubChem (CID 171774524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).