ethene;1,2,3,4-tetrahydrochrysene;thiophene

C24H24S — CID 174759150

IUPACethene;1,2,3,4-tetrahydrochrysene;thiophene
SMILESC=C.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccsc1
InChIInChI=1S/C18H16.C4H4S.C2H4/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;1-2/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;1-2H2
InChIKeyXOXSZJSOAOYYAM-UHFFFAOYSA-N
MW344.52 g/mol
LogP7.42
Rot. Bonds

About ethene;1,2,3,4-tetrahydrochrysene;thiophene

ethene;1,2,3,4-tetrahydrochrysene;thiophene (PubChem CID 174759150) has the molecular formula C24H24S and a molecular weight of 344.52 g/mol. Its IUPAC name is ethene;1,2,3,4-tetrahydrochrysene;thiophene.

Molecular Properties

Compound Nameethene;1,2,3,4-tetrahydrochrysene;thiophene
PubChem CID174759150
Molecular FormulaC24H24S
Molecular Weight344.52 g/mol
Exact Mass344.16
IUPAC Nameethene;1,2,3,4-tetrahydrochrysene;thiophene
SMILESC=C.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccsc1
InChIInChI=1S/C18H16.C4H4S.C2H4/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;1-2/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;1-2H2
InChIKeyXOXSZJSOAOYYAM-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1,2,3,4-tetrahydrochrysene;thiophene?
The IUPAC name of ethene;1,2,3,4-tetrahydrochrysene;thiophene (CID 174759150) is ethene;1,2,3,4-tetrahydrochrysene;thiophene.
What is the SMILES notation for ethene;1,2,3,4-tetrahydrochrysene;thiophene?
The canonical SMILES for ethene;1,2,3,4-tetrahydrochrysene;thiophene is C=C.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccsc1.
What is the InChIKey of ethene;1,2,3,4-tetrahydrochrysene;thiophene?
The InChIKey is XOXSZJSOAOYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C4H4S.C2H4/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;1-2/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;1-2H2.
What are the key properties of ethene;1,2,3,4-tetrahydrochrysene;thiophene?
ethene;1,2,3,4-tetrahydrochrysene;thiophene has a molecular weight of 344.52 g/mol, XLogP of 7.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,2,3,4-tetrahydrochrysene;thiophene is sourced from PubChem (CID 174759150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).