2-(2,4-dimethylphenyl)ethanethioamide

C10H13NS — CID 82075040

IUPAC2-(2,4-dimethylphenyl)ethanethioamide
SMILESCc1ccc(CC(N)=S)c(C)c1
InChIInChI=1S/C10H13NS/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyMBBWNYWSPQUWQU-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.13
Rot. Bonds2

About 2-(2,4-dimethylphenyl)ethanethioamide

2-(2,4-dimethylphenyl)ethanethioamide (PubChem CID 82075040) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)ethanethioamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)ethanethioamide
PubChem CID82075040
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-(2,4-dimethylphenyl)ethanethioamide
SMILESCc1ccc(CC(N)=S)c(C)c1
InChIInChI=1S/C10H13NS/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyMBBWNYWSPQUWQU-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.13
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

2-(2-chloro-4-methylphenyl)ethanethioamide
CID 106863362
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
2-(2,4-dimethylanilino)ethanethioamide
CID 82075991
(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine
CID 24721590
2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene
CID 143489955
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-(2,4-dimethylphenyl)ethyl carbamate
CID 123427544
1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione
CID 158299376
2-(4-amino-3,5-dimethylphenyl)ethanethioamide
CID 174722251
2-[(2,4-dimethylphenyl)methylamino]oxyacetamide
CID 112672487
1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
CID 118455489
(2,4-dimethylphenyl)methyl N,N-dimethylcarbamodithioate
CID 121001692

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)ethanethioamide?
The IUPAC name of 2-(2,4-dimethylphenyl)ethanethioamide (CID 82075040) is 2-(2,4-dimethylphenyl)ethanethioamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)ethanethioamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)ethanethioamide is Cc1ccc(CC(N)=S)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)ethanethioamide?
The InChIKey is MBBWNYWSPQUWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3,(H2,11,12).
What are the key properties of 2-(2,4-dimethylphenyl)ethanethioamide?
2-(2,4-dimethylphenyl)ethanethioamide has a molecular weight of 179.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)ethanethioamide is sourced from PubChem (CID 82075040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).