2-(2,5-dichloroanilino)ethanethioamide

C8H8Cl2N2S — CID 82083282

IUPAC2-(2,5-dichloroanilino)ethanethioamide
SMILESNC(=S)CNc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2S/c9-5-1-2-6(10)7(3-5)12-4-8(11)13/h1-3,12H,4H2,(H2,11,13)
InChIKeyZSFTXBWIHGJQBO-UHFFFAOYSA-N
MW235.14 g/mol
LogP2.69
Rot. Bonds3

About 2-(2,5-dichloroanilino)ethanethioamide

2-(2,5-dichloroanilino)ethanethioamide (PubChem CID 82083282) has the molecular formula C8H8Cl2N2S and a molecular weight of 235.14 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)ethanethioamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)ethanethioamide
PubChem CID82083282
Molecular FormulaC8H8Cl2N2S
Molecular Weight235.14 g/mol
Exact Mass233.98
IUPAC Name2-(2,5-dichloroanilino)ethanethioamide
SMILESNC(=S)CNc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2S/c9-5-1-2-6(10)7(3-5)12-4-8(11)13/h1-3,12H,4H2,(H2,11,13)
InChIKeyZSFTXBWIHGJQBO-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
CID 43316125
2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500
2-(3-chloroanilino)ethanethioamide
CID 82076448
2-(2-carbamothioyl-5-chloroanilino)acetamide
CID 63083530
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968
3-(5-chloro-2-methylanilino)propanethioamide
CID 82081464
1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
CID 110823626
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402904
2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
CID 65499551
1-amino-3-(2,5-dichlorophenyl)-1-methylthiourea
CID 2806904

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)ethanethioamide?
The IUPAC name of 2-(2,5-dichloroanilino)ethanethioamide (CID 82083282) is 2-(2,5-dichloroanilino)ethanethioamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)ethanethioamide?
The canonical SMILES for 2-(2,5-dichloroanilino)ethanethioamide is NC(=S)CNc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichloroanilino)ethanethioamide?
The InChIKey is ZSFTXBWIHGJQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2S/c9-5-1-2-6(10)7(3-5)12-4-8(11)13/h1-3,12H,4H2,(H2,11,13).
What are the key properties of 2-(2,5-dichloroanilino)ethanethioamide?
2-(2,5-dichloroanilino)ethanethioamide has a molecular weight of 235.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)ethanethioamide is sourced from PubChem (CID 82083282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).