ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide

C9H13IN2OS — CID 45260383

IUPACethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide
SMILESCCS/C(N)=N\c1ccc(O)cc1.I
InChIInChI=1S/C9H12N2OS.HI/c1-2-13-9(10)11-7-3-5-8(12)6-4-7;/h3-6,12H,2H2,1H3,(H2,10,11);1H
InChIKeyKVOCVPYURLOASX-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.71
Rot. Bonds2

About ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide

ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide (PubChem CID 45260383) has the molecular formula C9H13IN2OS and a molecular weight of 324.19 g/mol. Its IUPAC name is ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide.

Molecular Properties

Compound Nameethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide
PubChem CID45260383
Molecular FormulaC9H13IN2OS
Molecular Weight324.19 g/mol
Exact Mass323.98
IUPAC Nameethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide
SMILESCCS/C(N)=N\c1ccc(O)cc1.I
InChIInChI=1S/C9H12N2OS.HI/c1-2-13-9(10)11-7-3-5-8(12)6-4-7;/h3-6,12H,2H2,1H3,(H2,10,11);1H
InChIKeyKVOCVPYURLOASX-UHFFFAOYSA-N
XLogP2.71
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.71
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodide
CID 8775930
2-Ethyl-1-(4-hydroxy-phenyl)-isothiourea; hydriodide
CID 10607934
1-[4-(Trifluoromethoxy)phenyl]-2-ethylisothiourea
CID 10825489
2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135435921
ethyl N'-(4-methoxyphenyl)carbamimidothioate;hydroiodide
CID 45260421
2-[(4-hydroxyphenyl)(methyl)amino]-1,3-thiazol-4(5H)-one
CID 753487
Guanidine, (p-hydroxyphenyl)-, monohydrochloride
CID 12253707
p-Hydroxyphenylguanidine hydrochloride
CID 135618148
N'-(4-Hydroxyphenyl)-N,N-dimethylformamidine
CID 596208
S-ethyl N-(4-hydroxyphenyl)iminocarbamothioate
CID 266455
4-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol
CID 16762657
1-(Diaminomethylidene)-2-(4-hydroxyphenyl)guanidine
CID 276764

Frequently Asked Questions

What is the IUPAC name of ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide?
The IUPAC name of ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide (CID 45260383) is ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide.
What is the SMILES notation for ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide?
The canonical SMILES for ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide is CCS/C(N)=N\c1ccc(O)cc1.I.
What is the InChIKey of ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide?
The InChIKey is KVOCVPYURLOASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS.HI/c1-2-13-9(10)11-7-3-5-8(12)6-4-7;/h3-6,12H,2H2,1H3,(H2,10,11);1H.
What are the key properties of ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide?
ethyl N'-(4-hydroxyphenyl)carbamimidothioate;hydroiodide has a molecular weight of 324.19 g/mol, XLogP of 2.71, 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;hydroiodide is sourced from PubChem (CID 45260383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).