N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide

C7H8N2S — CID 146418644

IUPACN'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide
SMILESC=C1SC=C/C1=N\C=N\C
InChIInChI=1S/C7H8N2S/c1-6-7(3-4-10-6)9-5-8-2/h3-5H,1H2,2H3/b8-5+,9-7+
InChIKeyANSGYGFSSJWKTJ-OCIXRKKMSA-N
MW152.22 g/mol
LogP1.86
Rot. Bonds1

About N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide

N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide (PubChem CID 146418644) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide
PubChem CID146418644
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC NameN'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide
SMILESC=C1SC=C/C1=N\C=N\C
InChIInChI=1S/C7H8N2S/c1-6-7(3-4-10-6)9-5-8-2/h3-5H,1H2,2H3/b8-5+,9-7+
InChIKeyANSGYGFSSJWKTJ-OCIXRKKMSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide (CID 146418644) is N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide is C=C1SC=C/C1=N\C=N\C.
What is the InChIKey of N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide?
The InChIKey is ANSGYGFSSJWKTJ-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H8N2S/c1-6-7(3-4-10-6)9-5-8-2/h3-5H,1H2,2H3/b8-5+,9-7+.
What are the key properties of N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide?
N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide has a molecular weight of 152.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylidenethiophen-3-ylidene)methanimidamide is sourced from PubChem (CID 146418644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).