(2-prop-2-enoxyphenyl)thiourea

C10H12N2OS — CID 169357900

IUPAC(2-prop-2-enoxyphenyl)thiourea
SMILESC=CCOc1ccccc1NC(N)=S
InChIInChI=1S/C10H12N2OS/c1-2-7-13-9-6-4-3-5-8(9)12-10(11)14/h2-6H,1,7H2,(H3,11,12,14)
InChIKeyKWICNQCAIDSKNG-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.91
Rot. Bonds4

About (2-prop-2-enoxyphenyl)thiourea

(2-prop-2-enoxyphenyl)thiourea (PubChem CID 169357900) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (2-prop-2-enoxyphenyl)thiourea.

Molecular Properties

Compound Name(2-prop-2-enoxyphenyl)thiourea
PubChem CID169357900
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(2-prop-2-enoxyphenyl)thiourea
SMILESC=CCOc1ccccc1NC(N)=S
InChIInChI=1S/C10H12N2OS/c1-2-7-13-9-6-4-3-5-8(9)12-10(11)14/h2-6H,1,7H2,(H3,11,12,14)
InChIKeyKWICNQCAIDSKNG-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-oxo-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]butanoate
CID 17098272
4-chloro-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17098233
[2-(pyridin-2-ylmethoxy)phenyl]thiourea
CID 169357255
2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide
CID 17098246
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea
CID 89224365
2-(4-methoxyphenyl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097941
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54813857
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54817694
3-iodo-4-methyl-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17098260

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enoxyphenyl)thiourea?
The IUPAC name of (2-prop-2-enoxyphenyl)thiourea (CID 169357900) is (2-prop-2-enoxyphenyl)thiourea.
What is the SMILES notation for (2-prop-2-enoxyphenyl)thiourea?
The canonical SMILES for (2-prop-2-enoxyphenyl)thiourea is C=CCOc1ccccc1NC(N)=S.
What is the InChIKey of (2-prop-2-enoxyphenyl)thiourea?
The InChIKey is KWICNQCAIDSKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-7-13-9-6-4-3-5-8(9)12-10(11)14/h2-6H,1,7H2,(H3,11,12,14).
What are the key properties of (2-prop-2-enoxyphenyl)thiourea?
(2-prop-2-enoxyphenyl)thiourea has a molecular weight of 208.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enoxyphenyl)thiourea is sourced from PubChem (CID 169357900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).