methyl 4-ethenylbenzenecarbodithioate

C10H10S2 — CID 19973825

IUPACmethyl 4-ethenylbenzenecarbodithioate
SMILESC=Cc1ccc(C(=S)SC)cc1
InChIInChI=1S/C10H10S2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InChIKeyDDKLKPSTAGADGR-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.37
Rot. Bonds2

About methyl 4-ethenylbenzenecarbodithioate

methyl 4-ethenylbenzenecarbodithioate (PubChem CID 19973825) has the molecular formula C10H10S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is methyl 4-ethenylbenzenecarbodithioate.

Molecular Properties

Compound Namemethyl 4-ethenylbenzenecarbodithioate
PubChem CID19973825
Molecular FormulaC10H10S2
Molecular Weight194.32 g/mol
Exact Mass194.02
IUPAC Namemethyl 4-ethenylbenzenecarbodithioate
SMILESC=Cc1ccc(C(=S)SC)cc1
InChIInChI=1S/C10H10S2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InChIKeyDDKLKPSTAGADGR-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 4-ethenylbenzenecarbodithioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenylbenzenecarbodithioate?
The IUPAC name of methyl 4-ethenylbenzenecarbodithioate (CID 19973825) is methyl 4-ethenylbenzenecarbodithioate.
What is the SMILES notation for methyl 4-ethenylbenzenecarbodithioate?
The canonical SMILES for methyl 4-ethenylbenzenecarbodithioate is C=Cc1ccc(C(=S)SC)cc1.
What is the InChIKey of methyl 4-ethenylbenzenecarbodithioate?
The InChIKey is DDKLKPSTAGADGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3.
What are the key properties of methyl 4-ethenylbenzenecarbodithioate?
methyl 4-ethenylbenzenecarbodithioate has a molecular weight of 194.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenylbenzenecarbodithioate is sourced from PubChem (CID 19973825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).