ethyl N'-(2-methoxyphenyl)carbamimidothioate

C10H14N2OS — CID 8776467

IUPACethyl N'-(2-methoxyphenyl)carbamimidothioate
SMILESCCS/C(N)=N\c1ccccc1OC
InChIInChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
InChIKeyLWLQJNKPRCWFQK-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.39
Rot. Bonds3

About ethyl N'-(2-methoxyphenyl)carbamimidothioate

ethyl N'-(2-methoxyphenyl)carbamimidothioate (PubChem CID 8776467) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is ethyl N'-(2-methoxyphenyl)carbamimidothioate.

Molecular Properties

Compound Nameethyl N'-(2-methoxyphenyl)carbamimidothioate
PubChem CID8776467
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Nameethyl N'-(2-methoxyphenyl)carbamimidothioate
SMILESCCS/C(N)=N\c1ccccc1OC
InChIInChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
InChIKeyLWLQJNKPRCWFQK-UHFFFAOYSA-N
XLogP2.39
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
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'-(2-methoxyphenyl)carbamimidothioate?
The IUPAC name of ethyl N'-(2-methoxyphenyl)carbamimidothioate (CID 8776467) is ethyl N'-(2-methoxyphenyl)carbamimidothioate.
What is the SMILES notation for ethyl N'-(2-methoxyphenyl)carbamimidothioate?
The canonical SMILES for ethyl N'-(2-methoxyphenyl)carbamimidothioate is CCS/C(N)=N\c1ccccc1OC.
What is the InChIKey of ethyl N'-(2-methoxyphenyl)carbamimidothioate?
The InChIKey is LWLQJNKPRCWFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12).
What are the key properties of ethyl N'-(2-methoxyphenyl)carbamimidothioate?
ethyl N'-(2-methoxyphenyl)carbamimidothioate has a molecular weight of 210.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-(2-methoxyphenyl)carbamimidothioate is sourced from PubChem (CID 8776467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).