2,4-bis(prop-2-enyl)-9H-thioxanthene

C19H18S — CID 68570426

IUPAC2,4-bis(prop-2-enyl)-9H-thioxanthene
SMILESC=CCc1cc(CC=C)c2c(c1)Cc1ccccc1S2
InChIInChI=1S/C19H18S/c1-3-7-14-11-16(8-4-2)19-17(12-14)13-15-9-5-6-10-18(15)20-19/h3-6,9-12H,1-2,7-8,13H2
InChIKeyDBHWKXOQLDSLBE-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.20
Rot. Bonds4

About 2,4-bis(prop-2-enyl)-9H-thioxanthene

2,4-bis(prop-2-enyl)-9H-thioxanthene (PubChem CID 68570426) has the molecular formula C19H18S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2,4-bis(prop-2-enyl)-9H-thioxanthene.

Molecular Properties

Compound Name2,4-bis(prop-2-enyl)-9H-thioxanthene
PubChem CID68570426
Molecular FormulaC19H18S
Molecular Weight278.42 g/mol
Exact Mass278.11
IUPAC Name2,4-bis(prop-2-enyl)-9H-thioxanthene
SMILESC=CCc1cc(CC=C)c2c(c1)Cc1ccccc1S2
InChIInChI=1S/C19H18S/c1-3-7-14-11-16(8-4-2)19-17(12-14)13-15-9-5-6-10-18(15)20-19/h3-6,9-12H,1-2,7-8,13H2
InChIKeyDBHWKXOQLDSLBE-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.20
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

2,4-diethyl-9H-thioxanthene;thioxanthen-9-one
CID 159766903
copper;9H-thioxanthene
CID 174315063
bis(oxygen(2-));9H-thioxanthene;titanium(4+)
CID 158702616
5,17-bis(phenyldiazenyl)-11,23-bis(prop-2-enyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136738712
dioxotitanium;9H-thioxanthene
CID 174580063
prop-2-enylbenzene
CID 159998516
sulfamide;9H-thioxanthene
CID 174799944
N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine
CID 88829456
2-methyl-3-prop-2-enyl-1,4-dihydronaphthalene
CID 10511708
bis(2,4-diethyl-9H-thioxanthen-1-yl)methanone
CID 174555827
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(prop-2-enyl)-9H-thioxanthene?
The IUPAC name of 2,4-bis(prop-2-enyl)-9H-thioxanthene (CID 68570426) is 2,4-bis(prop-2-enyl)-9H-thioxanthene.
What is the SMILES notation for 2,4-bis(prop-2-enyl)-9H-thioxanthene?
The canonical SMILES for 2,4-bis(prop-2-enyl)-9H-thioxanthene is C=CCc1cc(CC=C)c2c(c1)Cc1ccccc1S2.
What is the InChIKey of 2,4-bis(prop-2-enyl)-9H-thioxanthene?
The InChIKey is DBHWKXOQLDSLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18S/c1-3-7-14-11-16(8-4-2)19-17(12-14)13-15-9-5-6-10-18(15)20-19/h3-6,9-12H,1-2,7-8,13H2.
What are the key properties of 2,4-bis(prop-2-enyl)-9H-thioxanthene?
2,4-bis(prop-2-enyl)-9H-thioxanthene has a molecular weight of 278.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-2-enyl)-9H-thioxanthene is sourced from PubChem (CID 68570426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).