1-(disulfanyl)-N,N-dimethylethenamine

C4H9NS2 — CID 155456388

IUPAC1-(disulfanyl)-N,N-dimethylethenamine
SMILESC=C(SS)N(C)C
InChIInChI=1S/C4H9NS2/c1-4(7-6)5(2)3/h6H,1H2,2-3H3
InChIKeyHNTVCOBCTQCJOE-UHFFFAOYSA-N
MW135.26 g/mol
LogP1.60
Rot. Bonds2

About 1-(disulfanyl)-N,N-dimethylethenamine

1-(disulfanyl)-N,N-dimethylethenamine (PubChem CID 155456388) has the molecular formula C4H9NS2 and a molecular weight of 135.26 g/mol. Its IUPAC name is 1-(disulfanyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name1-(disulfanyl)-N,N-dimethylethenamine
PubChem CID155456388
Molecular FormulaC4H9NS2
Molecular Weight135.26 g/mol
Exact Mass135.02
IUPAC Name1-(disulfanyl)-N,N-dimethylethenamine
SMILESC=C(SS)N(C)C
InChIInChI=1S/C4H9NS2/c1-4(7-6)5(2)3/h6H,1H2,2-3H3
InChIKeyHNTVCOBCTQCJOE-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-N,N-dimethylethenamine?
The IUPAC name of 1-(disulfanyl)-N,N-dimethylethenamine (CID 155456388) is 1-(disulfanyl)-N,N-dimethylethenamine.
What is the SMILES notation for 1-(disulfanyl)-N,N-dimethylethenamine?
The canonical SMILES for 1-(disulfanyl)-N,N-dimethylethenamine is C=C(SS)N(C)C.
What is the InChIKey of 1-(disulfanyl)-N,N-dimethylethenamine?
The InChIKey is HNTVCOBCTQCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS2/c1-4(7-6)5(2)3/h6H,1H2,2-3H3.
What are the key properties of 1-(disulfanyl)-N,N-dimethylethenamine?
1-(disulfanyl)-N,N-dimethylethenamine has a molecular weight of 135.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-N,N-dimethylethenamine is sourced from PubChem (CID 155456388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).