ethane-1,2-diamine;thiophene-2-thiol

C6H12N2S2 — CID 143882980

IUPACethane-1,2-diamine;thiophene-2-thiol
SMILESNCCN.Sc1cccs1
InChIInChI=1S/C4H4S2.C2H8N2/c5-4-2-1-3-6-4;3-1-2-4/h1-3,5H;1-4H2
InChIKeyJEYUKSPQPIHZLH-UHFFFAOYSA-N
MW176.31 g/mol
LogP0.94
Rot. Bonds1

About ethane-1,2-diamine;thiophene-2-thiol

ethane-1,2-diamine;thiophene-2-thiol (PubChem CID 143882980) has the molecular formula C6H12N2S2 and a molecular weight of 176.31 g/mol. Its IUPAC name is ethane-1,2-diamine;thiophene-2-thiol.

Molecular Properties

Compound Nameethane-1,2-diamine;thiophene-2-thiol
PubChem CID143882980
Molecular FormulaC6H12N2S2
Molecular Weight176.31 g/mol
Exact Mass176.04
IUPAC Nameethane-1,2-diamine;thiophene-2-thiol
SMILESNCCN.Sc1cccs1
InChIInChI=1S/C4H4S2.C2H8N2/c5-4-2-1-3-6-4;3-1-2-4/h1-3,5H;1-4H2
InChIKeyJEYUKSPQPIHZLH-UHFFFAOYSA-N
XLogP0.94
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;thiophene-2-thiol?
The IUPAC name of ethane-1,2-diamine;thiophene-2-thiol (CID 143882980) is ethane-1,2-diamine;thiophene-2-thiol.
What is the SMILES notation for ethane-1,2-diamine;thiophene-2-thiol?
The canonical SMILES for ethane-1,2-diamine;thiophene-2-thiol is NCCN.Sc1cccs1.
What is the InChIKey of ethane-1,2-diamine;thiophene-2-thiol?
The InChIKey is JEYUKSPQPIHZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S2.C2H8N2/c5-4-2-1-3-6-4;3-1-2-4/h1-3,5H;1-4H2.
What are the key properties of ethane-1,2-diamine;thiophene-2-thiol?
ethane-1,2-diamine;thiophene-2-thiol has a molecular weight of 176.31 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;thiophene-2-thiol is sourced from PubChem (CID 143882980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).