1-(2-hydroxyphenyl)-3-methylthiourea

C8H10N2OS — CID 12751498

IUPAC1-(2-hydroxyphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1ccccc1O
InChIInChI=1S/C8H10N2OS/c1-9-8(12)10-6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H2,9,10,12)
InChIKeyMPVVZTQQVHTZCH-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.31
Rot. Bonds1

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

1-(2-hydroxyphenyl)-3-methylthiourea (PubChem CID 12751498) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-methylthiourea
PubChem CID12751498
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-(2-hydroxyphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1ccccc1O
InChIInChI=1S/C8H10N2OS/c1-9-8(12)10-6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H2,9,10,12)
InChIKeyMPVVZTQQVHTZCH-UHFFFAOYSA-N
XLogP1.31
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-methylthiourea?
The IUPAC name of 1-(2-hydroxyphenyl)-3-methylthiourea (CID 12751498) is 1-(2-hydroxyphenyl)-3-methylthiourea.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-methylthiourea?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-methylthiourea is CNC(=S)Nc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-methylthiourea?
The InChIKey is MPVVZTQQVHTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-9-8(12)10-6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H2,9,10,12).
What are the key properties of 1-(2-hydroxyphenyl)-3-methylthiourea?
1-(2-hydroxyphenyl)-3-methylthiourea has a molecular weight of 182.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-methylthiourea is sourced from PubChem (CID 12751498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).