(1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate

C16H17S- — CID 162398099

IUPAC(1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate
SMILESCC(C)(C)/C([S-])=C1\C=CC=C1c1ccccc1
InChIInChI=1S/C16H18S/c1-16(2,3)15(17)14-11-7-10-13(14)12-8-5-4-6-9-12/h4-11,17H,1-3H3/p-1/b15-14-
InChIKeyYGFYWCVZORSHHS-PFONDFGASA-M
MW241.38 g/mol
LogP4.49
Rot. Bonds1

About (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate

(1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate (PubChem CID 162398099) has the molecular formula C16H17S- and a molecular weight of 241.38 g/mol. Its IUPAC name is (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate.

Molecular Properties

Compound Name(1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate
PubChem CID162398099
Molecular FormulaC16H17S-
Molecular Weight241.38 g/mol
Exact Mass241.11
IUPAC Name(1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate
SMILESCC(C)(C)/C([S-])=C1\C=CC=C1c1ccccc1
InChIInChI=1S/C16H18S/c1-16(2,3)15(17)14-11-7-10-13(14)12-8-5-4-6-9-12/h4-11,17H,1-3H3/p-1/b15-14-
InChIKeyYGFYWCVZORSHHS-PFONDFGASA-M
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate 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

cyclobutadienylbenzene
CID 86042442
1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene
CID 21263485
(1Z)-1-(2,2-dimethyl-1-phenylpropylidene)-3-phenylindene
CID 5378956
[(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene
CID 15423949
(6-methanidylidene-2-phenylcyclohexa-2,4-dien-1-ylidene)-propan-2-yloxidanium
CID 102513920
benzene;1,1'-biphenyl;ethane
CID 158550617
beryllium;1,1'-biphenyl;hydride
CID 173156439
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
(1E)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-ylidene)ethanol
CID 134941801
6,7-bis(dichloromethyl)-8,12-diphenylbenzo[a]heptalene
CID 101012760
1-(1,1-dichloroethyl)-4-phenylbenzene
CID 15702295

Frequently Asked Questions

What is the IUPAC name of (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate?
The IUPAC name of (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate (CID 162398099) is (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate.
What is the SMILES notation for (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate?
The canonical SMILES for (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate is CC(C)(C)/C([S-])=C1\C=CC=C1c1ccccc1.
What is the InChIKey of (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate?
The InChIKey is YGFYWCVZORSHHS-PFONDFGASA-M. The full InChI is InChI=1S/C16H18S/c1-16(2,3)15(17)14-11-7-10-13(14)12-8-5-4-6-9-12/h4-11,17H,1-3H3/p-1/b15-14-.
What are the key properties of (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate?
(1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate has a molecular weight of 241.38 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate is sourced from PubChem (CID 162398099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).