methyl N'-(1-benzothiophen-5-yl)carbamimidothioate

C10H10N2S2 — CID 76849240

IUPACmethyl N'-(1-benzothiophen-5-yl)carbamimidothioate
SMILESCS/C(N)=N\c1ccc2sccc2c1
InChIInChI=1S/C10H10N2S2/c1-13-10(11)12-8-2-3-9-7(6-8)4-5-14-9/h2-6H,1H3,(H2,11,12)
InChIKeyUZXHAXPHIBYRDS-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.21
Rot. Bonds1

About methyl N'-(1-benzothiophen-5-yl)carbamimidothioate

methyl N'-(1-benzothiophen-5-yl)carbamimidothioate (PubChem CID 76849240) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is methyl N'-(1-benzothiophen-5-yl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(1-benzothiophen-5-yl)carbamimidothioate
PubChem CID76849240
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Namemethyl N'-(1-benzothiophen-5-yl)carbamimidothioate
SMILESCS/C(N)=N\c1ccc2sccc2c1
InChIInChI=1S/C10H10N2S2/c1-13-10(11)12-8-2-3-9-7(6-8)4-5-14-9/h2-6H,1H3,(H2,11,12)
InChIKeyUZXHAXPHIBYRDS-UHFFFAOYSA-N
XLogP3.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.21
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 methyl N'-(1-benzothiophen-5-yl)carbamimidothioate?
The IUPAC name of methyl N'-(1-benzothiophen-5-yl)carbamimidothioate (CID 76849240) is methyl N'-(1-benzothiophen-5-yl)carbamimidothioate.
What is the SMILES notation for methyl N'-(1-benzothiophen-5-yl)carbamimidothioate?
The canonical SMILES for methyl N'-(1-benzothiophen-5-yl)carbamimidothioate is CS/C(N)=N\c1ccc2sccc2c1.
What is the InChIKey of methyl N'-(1-benzothiophen-5-yl)carbamimidothioate?
The InChIKey is UZXHAXPHIBYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-13-10(11)12-8-2-3-9-7(6-8)4-5-14-9/h2-6H,1H3,(H2,11,12).
What are the key properties of methyl N'-(1-benzothiophen-5-yl)carbamimidothioate?
methyl N'-(1-benzothiophen-5-yl)carbamimidothioate has a molecular weight of 222.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(1-benzothiophen-5-yl)carbamimidothioate is sourced from PubChem (CID 76849240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).