thiophene-2,4-diamine

C4H6N2S — CID 19989301

IUPACthiophene-2,4-diamine
SMILESNc1csc(N)c1
InChIInChI=1S/C4H6N2S/c5-3-1-4(6)7-2-3/h1-2H,5-6H2
InChIKeyYMEUGSSTDRDSCO-UHFFFAOYSA-N
MW114.17 g/mol
LogP0.91
Rot. Bonds

About thiophene-2,4-diamine

thiophene-2,4-diamine (PubChem CID 19989301) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is thiophene-2,4-diamine.

Molecular Properties

Compound Namethiophene-2,4-diamine
PubChem CID19989301
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Namethiophene-2,4-diamine
SMILESNc1csc(N)c1
InChIInChI=1S/C4H6N2S/c5-3-1-4(6)7-2-3/h1-2H,5-6H2
InChIKeyYMEUGSSTDRDSCO-UHFFFAOYSA-N
XLogP0.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophene-2,4-diamine?
The IUPAC name of thiophene-2,4-diamine (CID 19989301) is thiophene-2,4-diamine.
What is the SMILES notation for thiophene-2,4-diamine?
The canonical SMILES for thiophene-2,4-diamine is Nc1csc(N)c1.
What is the InChIKey of thiophene-2,4-diamine?
The InChIKey is YMEUGSSTDRDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c5-3-1-4(6)7-2-3/h1-2H,5-6H2.
What are the key properties of thiophene-2,4-diamine?
thiophene-2,4-diamine has a molecular weight of 114.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2,4-diamine is sourced from PubChem (CID 19989301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).