[1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea

C11H15N3OS — CID 4025688

IUPAC[1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea
SMILESCCC(Cc1ccc(O)cc1)=NNC(N)=S
InChIInChI=1S/C11H15N3OS/c1-2-9(13-14-11(12)16)7-8-3-5-10(15)6-4-8/h3-6,15H,2,7H2,1H3,(H3,12,14,16)
InChIKeyGEVQFYVBTOAGGD-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.53
Rot. Bonds4

About [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea

[1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea (PubChem CID 4025688) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea
PubChem CID4025688
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea
SMILESCCC(Cc1ccc(O)cc1)=NNC(N)=S
InChIInChI=1S/C11H15N3OS/c1-2-9(13-14-11(12)16)7-8-3-5-10(15)6-4-8/h3-6,15H,2,7H2,1H3,(H3,12,14,16)
InChIKeyGEVQFYVBTOAGGD-UHFFFAOYSA-N
XLogP1.53
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-(4-methoxyphenyl)butan-2-ylideneamino]urea
CID 121013499
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
CID 121010367
4-(2-aminoprop-2-enyl)phenol
CID 20758770
[(E)-[cyclopropyl-(4-ethylphenyl)methylidene]amino]thiourea
CID 5464742
1,3-bis(4-hydroxyphenyl)propane-2-thione
CID 88666976
[(E)-1,2-diphenylethylideneamino]thiourea
CID 52945875
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
(2E)-2-(carbamothioylhydrazinylidene)-3-(4-fluorophenyl)propanoic acid
CID 117045332
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
4-(2-hydroxyiminopropyl)phenol
CID 572036
[(Z)-[(2Z)-2-hydroxyiminopentan-3-ylidene]amino]thiourea
CID 135484991

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea?
The IUPAC name of [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea (CID 4025688) is [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea.
What is the SMILES notation for [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea?
The canonical SMILES for [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea is CCC(Cc1ccc(O)cc1)=NNC(N)=S.
What is the InChIKey of [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea?
The InChIKey is GEVQFYVBTOAGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-9(13-14-11(12)16)7-8-3-5-10(15)6-4-8/h3-6,15H,2,7H2,1H3,(H3,12,14,16).
What are the key properties of [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea?
[1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea has a molecular weight of 237.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)butan-2-ylideneamino]thiourea is sourced from PubChem (CID 4025688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).