3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide

C14H21NO3S — CID 103488355

IUPAC3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide
SMILESCCOCC(C)OCCOc1cccc(C(N)=S)c1
InChIInChI=1S/C14H21NO3S/c1-3-16-10-11(2)17-7-8-18-13-6-4-5-12(9-13)14(15)19/h4-6,9,11H,3,7-8,10H2,1-2H3,(H2,15,19)
InChIKeyPQOFCASQMLSDBH-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.14
Rot. Bonds9

About 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide

3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide (PubChem CID 103488355) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide.

Molecular Properties

Compound Name3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide
PubChem CID103488355
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide
SMILESCCOCC(C)OCCOc1cccc(C(N)=S)c1
InChIInChI=1S/C14H21NO3S/c1-3-16-10-11(2)17-7-8-18-13-6-4-5-12(9-13)14(15)19/h4-6,9,11H,3,7-8,10H2,1-2H3,(H2,15,19)
InChIKeyPQOFCASQMLSDBH-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2-propan-2-yloxyethoxy)propoxy]benzenecarbothioamide
CID 43291189
3-[2-(3-ethylphenoxy)ethoxy]benzenecarbothioamide
CID 43291286
3-butan-2-yloxybenzenecarbothioamide
CID 43209213
3-[2-(4-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20985322
[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine
CID 103487057
(E)-3-[3-[2-(1-ethoxypropan-2-yloxy)ethoxy]phenyl]prop-2-enoic acid
CID 103489625
3-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 54936296
3-[3-(1-ethoxypropan-2-yloxy)propoxy]benzonitrile
CID 103488216
3-(2-ethylsulfonylethoxy)benzenecarbothioamide
CID 43807796
3-[2-(2-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 22683307
3-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarbothioamide
CID 61376930
3-[2-(2-methylsulfanylphenoxy)ethoxy]benzenecarbothioamide
CID 63647649

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide?
The IUPAC name of 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide (CID 103488355) is 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide.
What is the SMILES notation for 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide?
The canonical SMILES for 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide is CCOCC(C)OCCOc1cccc(C(N)=S)c1.
What is the InChIKey of 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide?
The InChIKey is PQOFCASQMLSDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-16-10-11(2)17-7-8-18-13-6-4-5-12(9-13)14(15)19/h4-6,9,11H,3,7-8,10H2,1-2H3,(H2,15,19).
What are the key properties of 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide?
3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide has a molecular weight of 283.39 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide is sourced from PubChem (CID 103488355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).