2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol

C7H18N2S2 — CID 58960455

IUPAC2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESCN(CCS)CCNCCS
InChIInChI=1S/C7H18N2S2/c1-9(5-7-11)4-2-8-3-6-10/h8,10-11H,2-7H2,1H3
InChIKeyBKEWUPYQZGSANF-UHFFFAOYSA-N
MW194.37 g/mol
LogP0.37
Rot. Bonds7

About 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol

2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol (PubChem CID 58960455) has the molecular formula C7H18N2S2 and a molecular weight of 194.37 g/mol. Its IUPAC name is 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
PubChem CID58960455
Molecular FormulaC7H18N2S2
Molecular Weight194.37 g/mol
Exact Mass194.09
IUPAC Name2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESCN(CCS)CCNCCS
InChIInChI=1S/C7H18N2S2/c1-9(5-7-11)4-2-8-3-6-10/h8,10-11H,2-7H2,1H3
InChIKeyBKEWUPYQZGSANF-UHFFFAOYSA-N
XLogP0.37
TPSA15.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The IUPAC name of 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol (CID 58960455) is 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The canonical SMILES for 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol is CN(CCS)CCNCCS.
What is the InChIKey of 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The InChIKey is BKEWUPYQZGSANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S2/c1-9(5-7-11)4-2-8-3-6-10/h8,10-11H,2-7H2,1H3.
What are the key properties of 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol has a molecular weight of 194.37 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol is sourced from PubChem (CID 58960455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).