(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate

C5H10NS2- — CID 134875844

IUPAC(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate
SMILESCS/C=C(/[S-])N(C)C
InChIInChI=1S/C5H11NS2/c1-6(2)5(7)4-8-3/h4,7H,1-3H3/p-1/b5-4+
InChIKeyXETLGDCEWRIXBS-SNAWJCMRSA-M
MW148.28 g/mol
LogP1.26
Rot. Bonds2

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

(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate (PubChem CID 134875844) has the molecular formula C5H10NS2- and a molecular weight of 148.28 g/mol. Its IUPAC name is (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate.

Molecular Properties

Compound Name(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate
PubChem CID134875844
Molecular FormulaC5H10NS2-
Molecular Weight148.28 g/mol
Exact Mass148.03
IUPAC Name(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate
SMILESCS/C=C(/[S-])N(C)C
InChIInChI=1S/C5H11NS2/c1-6(2)5(7)4-8-3/h4,7H,1-3H3/p-1/b5-4+
InChIKeyXETLGDCEWRIXBS-SNAWJCMRSA-M
XLogP1.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Ethenamine, N,N-dimethyl-1-(methylthio)-
CID 141150
(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine
CID 134923137
(Z)-1-(dimethylamino)-2-dimethylsulfonioethenolate
CID 176428061
CID 176442325
CID 176442325
(Z)-N,N-dimethyl-2-methylsulfanylethenamine
CID 89175731
1-ethylsulfanyl-N,N-dimethylethenamine
CID 102249013
N,N-dimethyl-2-methylsulfanylethenamine
CID 123385295
N-ethyl-N-methyl-2-methylsulfanylethenamine
CID 123970324
N,N-dimethyl-1-propan-2-ylsulfanylethenamine
CID 146200561
3-Methyl-2-methylidene-1,3-thiazole-4-thiol
CID 151923659
1-(disulfanyl)-N,N-dimethylethenamine
CID 155456388
(Z)-N-ethenyl-N-methyl-2-methylsulfanylethenamine
CID 170403651

Frequently Asked Questions

What is the IUPAC name of (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate?
The IUPAC name of (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate (CID 134875844) is (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate.
What is the SMILES notation for (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate?
The canonical SMILES for (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate is CS/C=C(/[S-])N(C)C.
What is the InChIKey of (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate?
The InChIKey is XETLGDCEWRIXBS-SNAWJCMRSA-M. The full InChI is InChI=1S/C5H11NS2/c1-6(2)5(7)4-8-3/h4,7H,1-3H3/p-1/b5-4+.
What are the key properties of (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate?
(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate has a molecular weight of 148.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)-2-methylsulfanylethenethiolate is sourced from PubChem (CID 134875844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).