phenol;thiourea

C7H10N2OS — CID 88698794

IUPACphenol;thiourea
SMILESNC(N)=S.Oc1ccccc1
InChIInChI=1S/C6H6O.CH4N2S/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5,7H;(H4,2,3,4)
InChIKeyYKLYCOAULSOYSB-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.58
Rot. Bonds

About phenol;thiourea

phenol;thiourea (PubChem CID 88698794) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is phenol;thiourea.

Molecular Properties

Compound Namephenol;thiourea
PubChem CID88698794
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Namephenol;thiourea
SMILESNC(N)=S.Oc1ccccc1
InChIInChI=1S/C6H6O.CH4N2S/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5,7H;(H4,2,3,4)
InChIKeyYKLYCOAULSOYSB-UHFFFAOYSA-N
XLogP0.58
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenol;thiourea?
The IUPAC name of phenol;thiourea (CID 88698794) is phenol;thiourea.
What is the SMILES notation for phenol;thiourea?
The canonical SMILES for phenol;thiourea is NC(N)=S.Oc1ccccc1.
What is the InChIKey of phenol;thiourea?
The InChIKey is YKLYCOAULSOYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.CH4N2S/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5,7H;(H4,2,3,4).
What are the key properties of phenol;thiourea?
phenol;thiourea has a molecular weight of 170.24 g/mol, XLogP of 0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;thiourea is sourced from PubChem (CID 88698794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).