N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide

C17H17NS — CID 177480186

IUPACN-ethyl-2-(1-phenylethenyl)benzenecarbothioamide
SMILESC=C(c1ccccc1)c1ccccc1C(=S)NCC
InChIInChI=1S/C17H17NS/c1-3-18-17(19)16-12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3,(H,18,19)
InChIKeyOMCUSYZIPQJSFZ-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.03
Rot. Bonds4

About N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide

N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide (PubChem CID 177480186) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide.

Molecular Properties

Compound NameN-ethyl-2-(1-phenylethenyl)benzenecarbothioamide
PubChem CID177480186
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC NameN-ethyl-2-(1-phenylethenyl)benzenecarbothioamide
SMILESC=C(c1ccccc1)c1ccccc1C(=S)NCC
InChIInChI=1S/C17H17NS/c1-3-18-17(19)16-12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3,(H,18,19)
InChIKeyOMCUSYZIPQJSFZ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-(1-phenylethenyl)benzene
CID 162347910
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
N-benzyl-2-(1-phenylethenyl)aniline
CID 132548743
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
N-ethyl-3-phenyl-3-sulfanylidenepropanamide
CID 121218710
ethoxyethane;1-phenylethenylbenzene
CID 69353422
N-ethylbenzamide
CID 160772566
CID 172736940
CID 172736940
CID 174812823
CID 174812823
N-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]benzenecarbothioamide
CID 163986172
potassium 1-phenylethenylbenzene
CID 19358731
1-phenylethenylbenzene;hydrochloride
CID 70400725

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide?
The IUPAC name of N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide (CID 177480186) is N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide.
What is the SMILES notation for N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide?
The canonical SMILES for N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide is C=C(c1ccccc1)c1ccccc1C(=S)NCC.
What is the InChIKey of N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide?
The InChIKey is OMCUSYZIPQJSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-3-18-17(19)16-12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3,(H,18,19).
What are the key properties of N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide?
N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide has a molecular weight of 267.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-phenylethenyl)benzenecarbothioamide is sourced from PubChem (CID 177480186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).