N-[1-(4-chlorophenyl)ethenyl]ethanethioamide

C10H10ClNS — CID 142841498

IUPACN-[1-(4-chlorophenyl)ethenyl]ethanethioamide
SMILESC=C(NC(C)=S)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNS/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3,(H,12,13)
InChIKeyGPWLJDHDWPZQJG-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.25
Rot. Bonds2

About N-[1-(4-chlorophenyl)ethenyl]ethanethioamide

N-[1-(4-chlorophenyl)ethenyl]ethanethioamide (PubChem CID 142841498) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethenyl]ethanethioamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethenyl]ethanethioamide
PubChem CID142841498
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC NameN-[1-(4-chlorophenyl)ethenyl]ethanethioamide
SMILESC=C(NC(C)=S)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNS/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3,(H,12,13)
InChIKeyGPWLJDHDWPZQJG-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.25
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

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4-chloro-N-(methylcarbamothioyl)benzamide
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actinium;1-(4-chlorophenyl)ethenol
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1-(4-chlorophenyl)ethenamine
CID 122642948
(Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide
CID 87300600
4-chloro-N-(4-oxobut-1-en-2-yl)benzenecarbothioamide
CID 143969641
N'-[1-(4-chlorophenyl)ethenyl]-4-hydroxybenzohydrazide
CID 2456682
N-[4-(1-acetamidoethenyl)phenyl]acetamide
CID 102524968
1-(4-chlorophenyl)-2-methoxyprop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethenyl]ethanethioamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethenyl]ethanethioamide (CID 142841498) is N-[1-(4-chlorophenyl)ethenyl]ethanethioamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethenyl]ethanethioamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethenyl]ethanethioamide is C=C(NC(C)=S)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethenyl]ethanethioamide?
The InChIKey is GPWLJDHDWPZQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3,(H,12,13).
What are the key properties of N-[1-(4-chlorophenyl)ethenyl]ethanethioamide?
N-[1-(4-chlorophenyl)ethenyl]ethanethioamide has a molecular weight of 211.72 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethenyl]ethanethioamide is sourced from PubChem (CID 142841498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).