1-(2-hydroxyphenyl)-3-propylthiourea

C10H14N2OS — CID 127057453

IUPAC1-(2-hydroxyphenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccccc1O
InChIInChI=1S/C10H14N2OS/c1-2-7-11-10(14)12-8-5-3-4-6-9(8)13/h3-6,13H,2,7H2,1H3,(H2,11,12,14)
InChIKeyXBNAYTIZLBPIGW-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-hydroxyphenyl)-3-propylthiourea

1-(2-hydroxyphenyl)-3-propylthiourea (PubChem CID 127057453) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-propylthiourea
PubChem CID127057453
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(2-hydroxyphenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccccc1O
InChIInChI=1S/C10H14N2OS/c1-2-7-11-10(14)12-8-5-3-4-6-9(8)13/h3-6,13H,2,7H2,1H3,(H2,11,12,14)
InChIKeyXBNAYTIZLBPIGW-UHFFFAOYSA-N
XLogP2.09
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea
CID 127075804
1-benzyl-3-propylthiourea
CID 12725927
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
1-(2-chlorophenyl)-3-nonylthiourea
CID 19651087
N-butyl-N'-(2-hydroxyphenyl)oxamide
CID 108505091
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
1-(5-chloro-2-methylphenyl)-3-propylthiourea
CID 6992117
1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
CID 115579636
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
CID 8675613
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
1-[2-chloro-4-(propylcarbamothioylamino)phenyl]-3-propylthiourea
CID 8668815
1-(4-phenylbutyl)-3-propylthiourea
CID 19650176

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-propylthiourea?
The IUPAC name of 1-(2-hydroxyphenyl)-3-propylthiourea (CID 127057453) is 1-(2-hydroxyphenyl)-3-propylthiourea.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-propylthiourea?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-propylthiourea is CCCNC(=S)Nc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-propylthiourea?
The InChIKey is XBNAYTIZLBPIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-7-11-10(14)12-8-5-3-4-6-9(8)13/h3-6,13H,2,7H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-hydroxyphenyl)-3-propylthiourea?
1-(2-hydroxyphenyl)-3-propylthiourea has a molecular weight of 210.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-propylthiourea is sourced from PubChem (CID 127057453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).