(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine

C6H13NS2 — CID 134923137

IUPAC(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine
SMILESCS/C=C(/SC)N(C)C
InChIInChI=1S/C6H13NS2/c1-7(2)6(9-4)5-8-3/h5H,1-4H3/b6-5+
InChIKeyMAJRLMJHSGGUKU-AATRIKPKSA-N
MW163.31 g/mol
LogP2.07
Rot. Bonds3

About (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine

(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine (PubChem CID 134923137) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine
PubChem CID134923137
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC Name(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine
SMILESCS/C=C(/SC)N(C)C
InChIInChI=1S/C6H13NS2/c1-7(2)6(9-4)5-8-3/h5H,1-4H3/b6-5+
InChIKeyMAJRLMJHSGGUKU-AATRIKPKSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethenamine, N,N-dimethyl-1-(methylthio)-
CID 141150
1-methylthio-1-(N,N-diethylamino)ethene
CID 12244236
(Z)-N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine
CID 13639643
(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate
CID 134875844
CID 176442325
CID 176442325
3-Methyl-4-methylsulfanyl-1,3-thiazole-2-thione
CID 89881845
1-ethylsulfanyl-N,N-dimethylethenamine
CID 102249013
N,N-dimethyl-1-propylsulfanylethenamine
CID 142051117
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
N,N-Diethyl-1,2-bis(methylsulfanyl)ethen-1-amine
CID 71335497

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine?
The IUPAC name of (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine (CID 134923137) is (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine.
What is the SMILES notation for (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine?
The canonical SMILES for (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine is CS/C=C(/SC)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine?
The InChIKey is MAJRLMJHSGGUKU-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13NS2/c1-7(2)6(9-4)5-8-3/h5H,1-4H3/b6-5+.
What are the key properties of (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine?
(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine has a molecular weight of 163.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine is sourced from PubChem (CID 134923137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).