N-(2-ethylphenyl)methanethioamide

C9H11NS — CID 21063997

IUPACN-(2-ethylphenyl)methanethioamide
SMILESCCc1ccccc1NC=S
InChIInChI=1S/C9H11NS/c1-2-8-5-3-4-6-9(8)10-7-11/h3-7H,2H2,1H3,(H,10,11)
InChIKeyAPUINUZSOAVMRU-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.62
Rot. Bonds3

About N-(2-ethylphenyl)methanethioamide

N-(2-ethylphenyl)methanethioamide (PubChem CID 21063997) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(2-ethylphenyl)methanethioamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)methanethioamide
PubChem CID21063997
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC NameN-(2-ethylphenyl)methanethioamide
SMILESCCc1ccccc1NC=S
InChIInChI=1S/C9H11NS/c1-2-8-5-3-4-6-9(8)10-7-11/h3-7H,2H2,1H3,(H,10,11)
InChIKeyAPUINUZSOAVMRU-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.62
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-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide
CID 138486245
(E)-1-(2-ethylanilino)-4,4-dimethylpent-1-en-3-one
CID 126113506
1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
CID 129291272
2-ethyl-N-[(Z)-propylideneamino]aniline
CID 144945326
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1,2-diethylbenzene;hydrobromide
CID 174973685
ethane;N-(2-ethylphenyl)methanesulfinamide
CID 145394735
N-[2-[(2-formamidophenyl)methyl]phenyl]formamide
CID 54221440
1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8000945
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)methanethioamide?
The IUPAC name of N-(2-ethylphenyl)methanethioamide (CID 21063997) is N-(2-ethylphenyl)methanethioamide.
What is the SMILES notation for N-(2-ethylphenyl)methanethioamide?
The canonical SMILES for N-(2-ethylphenyl)methanethioamide is CCc1ccccc1NC=S.
What is the InChIKey of N-(2-ethylphenyl)methanethioamide?
The InChIKey is APUINUZSOAVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-8-5-3-4-6-9(8)10-7-11/h3-7H,2H2,1H3,(H,10,11).
What are the key properties of N-(2-ethylphenyl)methanethioamide?
N-(2-ethylphenyl)methanethioamide has a molecular weight of 165.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)methanethioamide is sourced from PubChem (CID 21063997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).