(E)-1-(dimethylamino)-2-methylsulfanylethenethiol

C5H11NS2 — CID 134875845

IUPAC(E)-1-(dimethylamino)-2-methylsulfanylethenethiol
SMILESCS/C=C(/S)N(C)C
InChIInChI=1S/C5H11NS2/c1-6(2)5(7)4-8-3/h4,7H,1-3H3/b5-4+
InChIKeyXETLGDCEWRIXBS-SNAWJCMRSA-N
MW149.28 g/mol
LogP1.64
Rot. Bonds2

About (E)-1-(dimethylamino)-2-methylsulfanylethenethiol

(E)-1-(dimethylamino)-2-methylsulfanylethenethiol (PubChem CID 134875845) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is (E)-1-(dimethylamino)-2-methylsulfanylethenethiol.

Molecular Properties

Compound Name(E)-1-(dimethylamino)-2-methylsulfanylethenethiol
PubChem CID134875845
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Name(E)-1-(dimethylamino)-2-methylsulfanylethenethiol
SMILESCS/C=C(/S)N(C)C
InChIInChI=1S/C5H11NS2/c1-6(2)5(7)4-8-3/h4,7H,1-3H3/b5-4+
InChIKeyXETLGDCEWRIXBS-SNAWJCMRSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-1-(dimethylamino)-2-methylsulfanylethenethiol?
The IUPAC name of (E)-1-(dimethylamino)-2-methylsulfanylethenethiol (CID 134875845) is (E)-1-(dimethylamino)-2-methylsulfanylethenethiol.
What is the SMILES notation for (E)-1-(dimethylamino)-2-methylsulfanylethenethiol?
The canonical SMILES for (E)-1-(dimethylamino)-2-methylsulfanylethenethiol is CS/C=C(/S)N(C)C.
What is the InChIKey of (E)-1-(dimethylamino)-2-methylsulfanylethenethiol?
The InChIKey is XETLGDCEWRIXBS-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11NS2/c1-6(2)5(7)4-8-3/h4,7H,1-3H3/b5-4+.
What are the key properties of (E)-1-(dimethylamino)-2-methylsulfanylethenethiol?
(E)-1-(dimethylamino)-2-methylsulfanylethenethiol has a molecular weight of 149.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)-2-methylsulfanylethenethiol is sourced from PubChem (CID 134875845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).