N-ethenyl-4-ethylbenzenecarbothioamide

C11H13NS — CID 143154132

IUPACN-ethenyl-4-ethylbenzenecarbothioamide
SMILESC=CNC(=S)c1ccc(CC)cc1
InChIInChI=1S/C11H13NS/c1-3-9-5-7-10(8-6-9)11(13)12-4-2/h4-8H,2-3H2,1H3,(H,12,13)
InChIKeyUGFSKRRLUGQKIM-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.66
Rot. Bonds3

About N-ethenyl-4-ethylbenzenecarbothioamide

N-ethenyl-4-ethylbenzenecarbothioamide (PubChem CID 143154132) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is N-ethenyl-4-ethylbenzenecarbothioamide.

Molecular Properties

Compound NameN-ethenyl-4-ethylbenzenecarbothioamide
PubChem CID143154132
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC NameN-ethenyl-4-ethylbenzenecarbothioamide
SMILESC=CNC(=S)c1ccc(CC)cc1
InChIInChI=1S/C11H13NS/c1-3-9-5-7-10(8-6-9)11(13)12-4-2/h4-8H,2-3H2,1H3,(H,12,13)
InChIKeyUGFSKRRLUGQKIM-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-ethylbenzenecarbothioamide?
The IUPAC name of N-ethenyl-4-ethylbenzenecarbothioamide (CID 143154132) is N-ethenyl-4-ethylbenzenecarbothioamide.
What is the SMILES notation for N-ethenyl-4-ethylbenzenecarbothioamide?
The canonical SMILES for N-ethenyl-4-ethylbenzenecarbothioamide is C=CNC(=S)c1ccc(CC)cc1.
What is the InChIKey of N-ethenyl-4-ethylbenzenecarbothioamide?
The InChIKey is UGFSKRRLUGQKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-3-9-5-7-10(8-6-9)11(13)12-4-2/h4-8H,2-3H2,1H3,(H,12,13).
What are the key properties of N-ethenyl-4-ethylbenzenecarbothioamide?
N-ethenyl-4-ethylbenzenecarbothioamide has a molecular weight of 191.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-ethylbenzenecarbothioamide is sourced from PubChem (CID 143154132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).