ethyl N'-(4-hydroxyphenyl)carbamimidothioate

C9H12N2OS — CID 10607934

IUPACethyl N'-(4-hydroxyphenyl)carbamimidothioate
SMILESCCS/C(N)=N\c1ccc(O)cc1
InChIInChI=1S/C9H12N2OS/c1-2-13-9(10)11-7-3-5-8(12)6-4-7/h3-6,12H,2H2,1H3,(H2,10,11)
InChIKeyIKMURRHSVREPAW-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.09
Rot. Bonds2

About ethyl N'-(4-hydroxyphenyl)carbamimidothioate

ethyl N'-(4-hydroxyphenyl)carbamimidothioate (PubChem CID 10607934) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is ethyl N'-(4-hydroxyphenyl)carbamimidothioate.

Molecular Properties

Compound Nameethyl N'-(4-hydroxyphenyl)carbamimidothioate
PubChem CID10607934
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Nameethyl N'-(4-hydroxyphenyl)carbamimidothioate
SMILESCCS/C(N)=N\c1ccc(O)cc1
InChIInChI=1S/C9H12N2OS/c1-2-13-9(10)11-7-3-5-8(12)6-4-7/h3-6,12H,2H2,1H3,(H2,10,11)
InChIKeyIKMURRHSVREPAW-UHFFFAOYSA-N
XLogP2.09
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N'-(4-hydroxyphenyl)carbamimidothioate?
The IUPAC name of ethyl N'-(4-hydroxyphenyl)carbamimidothioate (CID 10607934) is ethyl N'-(4-hydroxyphenyl)carbamimidothioate.
What is the SMILES notation for ethyl N'-(4-hydroxyphenyl)carbamimidothioate?
The canonical SMILES for ethyl N'-(4-hydroxyphenyl)carbamimidothioate is CCS/C(N)=N\c1ccc(O)cc1.
What is the InChIKey of ethyl N'-(4-hydroxyphenyl)carbamimidothioate?
The InChIKey is IKMURRHSVREPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-13-9(10)11-7-3-5-8(12)6-4-7/h3-6,12H,2H2,1H3,(H2,10,11).
What are the key properties of ethyl N'-(4-hydroxyphenyl)carbamimidothioate?
ethyl N'-(4-hydroxyphenyl)carbamimidothioate has a molecular weight of 196.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-(4-hydroxyphenyl)carbamimidothioate is sourced from PubChem (CID 10607934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).