2-(4-amino-2-chlorophenyl)ethanethioamide

C8H9ClN2S — CID 11401405

IUPAC2-(4-amino-2-chlorophenyl)ethanethioamide
SMILESNC(=S)Cc1ccc(N)cc1Cl
InChIInChI=1S/C8H9ClN2S/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3,10H2,(H2,11,12)
InChIKeyYLTLTTHEZWUQSG-UHFFFAOYSA-N
MW200.69 g/mol
LogP1.75
Rot. Bonds2

About 2-(4-amino-2-chlorophenyl)ethanethioamide

2-(4-amino-2-chlorophenyl)ethanethioamide (PubChem CID 11401405) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)ethanethioamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)ethanethioamide
PubChem CID11401405
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name2-(4-amino-2-chlorophenyl)ethanethioamide
SMILESNC(=S)Cc1ccc(N)cc1Cl
InChIInChI=1S/C8H9ClN2S/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3,10H2,(H2,11,12)
InChIKeyYLTLTTHEZWUQSG-UHFFFAOYSA-N
XLogP1.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-methylphenyl)ethanethioamide
CID 106863362
2-(4-aminophenyl)ethanethioamide
CID 64981449
3-chloro-4-[(dimethylamino)methyl]aniline;dihydrochloride
CID 52983627
N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
1-[(4-amino-2-chlorophenyl)methyl]pyrrolidine-3,4-diol
CID 106667970
3,4-dichloroaniline
CID 7257
3-chloro-4-hexylaniline
CID 139793989
(2,4-diaminophenyl)methanesulfinic acid
CID 174958069
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850
2-[(4-amino-2-chlorophenyl)methyl]-3-chloroaniline
CID 176902193
methyl (2S)-2-amino-3-(4-amino-2-chlorophenyl)propanoate
CID 171238434
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)ethanethioamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)ethanethioamide (CID 11401405) is 2-(4-amino-2-chlorophenyl)ethanethioamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)ethanethioamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)ethanethioamide is NC(=S)Cc1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)ethanethioamide?
The InChIKey is YLTLTTHEZWUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3,10H2,(H2,11,12).
What are the key properties of 2-(4-amino-2-chlorophenyl)ethanethioamide?
2-(4-amino-2-chlorophenyl)ethanethioamide has a molecular weight of 200.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)ethanethioamide is sourced from PubChem (CID 11401405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).