N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide

C11H14N2OS2 — CID 88682130

IUPACN-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide
SMILESCCNC(=S)NC(=S)c1ccccc1OC
InChIInChI=1S/C11H14N2OS2/c1-3-12-11(16)13-10(15)8-6-4-5-7-9(8)14-2/h4-7H,3H2,1-2H3,(H2,12,13,15,16)
InChIKeyFPPVSBROCOIOHZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.85
Rot. Bonds3

About N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide

N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide (PubChem CID 88682130) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide.

Molecular Properties

Compound NameN-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide
PubChem CID88682130
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC NameN-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide
SMILESCCNC(=S)NC(=S)c1ccccc1OC
InChIInChI=1S/C11H14N2OS2/c1-3-12-11(16)13-10(15)8-6-4-5-7-9(8)14-2/h4-7H,3H2,1-2H3,(H2,12,13,15,16)
InChIKeyFPPVSBROCOIOHZ-UHFFFAOYSA-N
XLogP1.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-[(2-chloro-6-methoxyphenyl)methyl]-3-ethylthiourea
CID 103292116
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
N-butyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17149477
N-ethyl-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 841458
N-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]benzenecarbothioamide
CID 177493458
3-bromo-N-(ethylcarbamothioyl)-4-methoxybenzamide
CID 4947770
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
1-benzyl-3-[(2-methoxybenzoyl)amino]thiourea
CID 7977743

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide?
The IUPAC name of N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide (CID 88682130) is N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide.
What is the SMILES notation for N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide?
The canonical SMILES for N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide is CCNC(=S)NC(=S)c1ccccc1OC.
What is the InChIKey of N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide?
The InChIKey is FPPVSBROCOIOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-3-12-11(16)13-10(15)8-6-4-5-7-9(8)14-2/h4-7H,3H2,1-2H3,(H2,12,13,15,16).
What are the key properties of N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide?
N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide has a molecular weight of 254.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamothioyl)-2-methoxybenzenecarbothioamide is sourced from PubChem (CID 88682130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).