methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate

C7H9N3S2 — CID 2798968

IUPACmethyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate
SMILESCSC(N)=NN=Cc1cccs1
InChIInChI=1S/C7H9N3S2/c1-11-7(8)10-9-5-6-3-2-4-12-6/h2-5H,1H3,(H2,8,10)
InChIKeyCPIASGUQYUIYKC-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.76
Rot. Bonds2

About methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate

methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate (PubChem CID 2798968) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate
PubChem CID2798968
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Namemethyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate
SMILESCSC(N)=NN=Cc1cccs1
InChIInChI=1S/C7H9N3S2/c1-11-7(8)10-9-5-6-3-2-4-12-6/h2-5H,1H3,(H2,8,10)
InChIKeyCPIASGUQYUIYKC-UHFFFAOYSA-N
XLogP1.76
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate?
The IUPAC name of methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate (CID 2798968) is methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate.
What is the SMILES notation for methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate?
The canonical SMILES for methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate is CSC(N)=NN=Cc1cccs1.
What is the InChIKey of methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate?
The InChIKey is CPIASGUQYUIYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S2/c1-11-7(8)10-9-5-6-3-2-4-12-6/h2-5H,1H3,(H2,8,10).
What are the key properties of methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate?
methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate has a molecular weight of 199.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(thiophen-2-ylmethylideneamino)carbamimidothioate is sourced from PubChem (CID 2798968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).