[4-(3-hydroxyprop-1-enyl)phenyl]thiourea

C10H12N2OS — CID 169453603

IUPAC[4-(3-hydroxyprop-1-enyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(C=CCO)cc1
InChIInChI=1S/C10H12N2OS/c11-10(14)12-9-5-3-8(4-6-9)2-1-7-13/h1-6,13H,7H2,(H3,11,12,14)
InChIKeyHFAXGNYMUNXXCR-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.35
Rot. Bonds3

About [4-(3-hydroxyprop-1-enyl)phenyl]thiourea

[4-(3-hydroxyprop-1-enyl)phenyl]thiourea (PubChem CID 169453603) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is [4-(3-hydroxyprop-1-enyl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(3-hydroxyprop-1-enyl)phenyl]thiourea
PubChem CID169453603
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name[4-(3-hydroxyprop-1-enyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(C=CCO)cc1
InChIInChI=1S/C10H12N2OS/c11-10(14)12-9-5-3-8(4-6-9)2-1-7-13/h1-6,13H,7H2,(H3,11,12,14)
InChIKeyHFAXGNYMUNXXCR-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(methylamino)prop-1-enyl]phenyl]thiourea
CID 169473910
[4-(2-cyanoethenyl)phenyl]thiourea
CID 169483738
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
[4-(carbamothioylamino)phenyl]boronic acid
CID 169356060
[4-(3-bromoprop-1-enyl)phenyl]urea
CID 169475818
[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea
CID 169485261
potassium 4-(carbamothioylamino)benzenesulfonate
CID 119026270
(Z)-3-pyridin-4-ylprop-2-en-1-ol
CID 45079749
sodium;hydride;phenylthiourea
CID 174376840
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
3-(3,4-dimethoxyphenyl)prop-2-enylthiourea
CID 173413865

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyprop-1-enyl)phenyl]thiourea?
The IUPAC name of [4-(3-hydroxyprop-1-enyl)phenyl]thiourea (CID 169453603) is [4-(3-hydroxyprop-1-enyl)phenyl]thiourea.
What is the SMILES notation for [4-(3-hydroxyprop-1-enyl)phenyl]thiourea?
The canonical SMILES for [4-(3-hydroxyprop-1-enyl)phenyl]thiourea is NC(=S)Nc1ccc(C=CCO)cc1.
What is the InChIKey of [4-(3-hydroxyprop-1-enyl)phenyl]thiourea?
The InChIKey is HFAXGNYMUNXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-10(14)12-9-5-3-8(4-6-9)2-1-7-13/h1-6,13H,7H2,(H3,11,12,14).
What are the key properties of [4-(3-hydroxyprop-1-enyl)phenyl]thiourea?
[4-(3-hydroxyprop-1-enyl)phenyl]thiourea has a molecular weight of 208.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyprop-1-enyl)phenyl]thiourea is sourced from PubChem (CID 169453603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).