3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol

C16H18S — CID 146669709

IUPAC3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol
SMILESC=CC1=C(/C=C\C)C(C)(C)c2ccc(S)cc21
InChIInChI=1S/C16H18S/c1-5-7-14-12(6-2)13-10-11(17)8-9-15(13)16(14,3)4/h5-10,17H,2H2,1,3-4H3/b7-5-
InChIKeyDMEPQNBZDZEDNJ-ALCCZGGFSA-N
MW242.39 g/mol
LogP4.78
Rot. Bonds2

About 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol

3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol (PubChem CID 146669709) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol.

Molecular Properties

Compound Name3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol
PubChem CID146669709
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol
SMILESC=CC1=C(/C=C\C)C(C)(C)c2ccc(S)cc21
InChIInChI=1S/C16H18S/c1-5-7-14-12(6-2)13-10-11(17)8-9-15(13)16(14,3)4/h5-10,17H,2H2,1,3-4H3/b7-5-
InChIKeyDMEPQNBZDZEDNJ-ALCCZGGFSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
CID 129111188
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 170058716
3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 153369602
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
(2'E)-2,3-dimethyl-1'-methylidene-1,4-bis[(Z)-prop-1-enyl]-2'-prop-2-enylidenespiro[cyclopenta-1,3-diene-5,3'-indene]-5'-thiol
CID 143828485
5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene
CID 166750866
ethane;3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indeno[5,4-b][1]benzofuran
CID 142288841
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
CID 143984015
2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol?
The IUPAC name of 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol (CID 146669709) is 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol.
What is the SMILES notation for 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol?
The canonical SMILES for 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol is C=CC1=C(/C=C\C)C(C)(C)c2ccc(S)cc21.
What is the InChIKey of 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol?
The InChIKey is DMEPQNBZDZEDNJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H18S/c1-5-7-14-12(6-2)13-10-11(17)8-9-15(13)16(14,3)4/h5-10,17H,2H2,1,3-4H3/b7-5-.
What are the key properties of 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol?
3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol has a molecular weight of 242.39 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol is sourced from PubChem (CID 146669709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).