2-ethyl-3-methoxybenzenecarbothioamide

C10H13NOS — CID 91875220

IUPAC2-ethyl-3-methoxybenzenecarbothioamide
SMILESCCc1c(OC)cccc1C(N)=S
InChIInChI=1S/C10H13NOS/c1-3-7-8(10(11)13)5-4-6-9(7)12-2/h4-6H,3H2,1-2H3,(H2,11,13)
InChIKeyMNSNHQLGSUWNEB-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.89
Rot. Bonds3

About 2-ethyl-3-methoxybenzenecarbothioamide

2-ethyl-3-methoxybenzenecarbothioamide (PubChem CID 91875220) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-ethyl-3-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name2-ethyl-3-methoxybenzenecarbothioamide
PubChem CID91875220
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-ethyl-3-methoxybenzenecarbothioamide
SMILESCCc1c(OC)cccc1C(N)=S
InChIInChI=1S/C10H13NOS/c1-3-7-8(10(11)13)5-4-6-9(7)12-2/h4-6H,3H2,1-2H3,(H2,11,13)
InChIKeyMNSNHQLGSUWNEB-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601
2-[2-(2-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 22683395
3-methoxy-2-pentoxybenzenecarbothioamide
CID 20987605
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 107468459
2-ethyl-3-pentoxybenzamide
CID 67228177
2-amino-2-(2-ethyl-3-methoxyphenyl)ethanol
CID 55269244
1-(2-ethyl-3-methoxyphenyl)ethenyl trifluoromethanesulfonate
CID 143014498
N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
CID 107468443
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylpentanamide
CID 107468418
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 107468519

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxybenzenecarbothioamide?
The IUPAC name of 2-ethyl-3-methoxybenzenecarbothioamide (CID 91875220) is 2-ethyl-3-methoxybenzenecarbothioamide.
What is the SMILES notation for 2-ethyl-3-methoxybenzenecarbothioamide?
The canonical SMILES for 2-ethyl-3-methoxybenzenecarbothioamide is CCc1c(OC)cccc1C(N)=S.
What is the InChIKey of 2-ethyl-3-methoxybenzenecarbothioamide?
The InChIKey is MNSNHQLGSUWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-7-8(10(11)13)5-4-6-9(7)12-2/h4-6H,3H2,1-2H3,(H2,11,13).
What are the key properties of 2-ethyl-3-methoxybenzenecarbothioamide?
2-ethyl-3-methoxybenzenecarbothioamide has a molecular weight of 195.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxybenzenecarbothioamide is sourced from PubChem (CID 91875220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).