2-(dimethylamino)ethyl N-methylmethanimidothioate

C6H14N2S — CID 123655015

IUPAC2-(dimethylamino)ethyl N-methylmethanimidothioate
SMILESC/N=C/SCCN(C)C
InChIInChI=1S/C6H14N2S/c1-7-6-9-5-4-8(2)3/h6H,4-5H2,1-3H3/b7-6+
InChIKeyDXRDMMGFKLWQNM-VOTSOKGWSA-N
MW146.26 g/mol
LogP0.94
Rot. Bonds4

About 2-(dimethylamino)ethyl N-methylmethanimidothioate

2-(dimethylamino)ethyl N-methylmethanimidothioate (PubChem CID 123655015) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-methylmethanimidothioate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N-methylmethanimidothioate
PubChem CID123655015
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name2-(dimethylamino)ethyl N-methylmethanimidothioate
SMILESC/N=C/SCCN(C)C
InChIInChI=1S/C6H14N2S/c1-7-6-9-5-4-8(2)3/h6H,4-5H2,1-3H3/b7-6+
InChIKeyDXRDMMGFKLWQNM-VOTSOKGWSA-N
XLogP0.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N-methylmethanimidothioate?
The IUPAC name of 2-(dimethylamino)ethyl N-methylmethanimidothioate (CID 123655015) is 2-(dimethylamino)ethyl N-methylmethanimidothioate.
What is the SMILES notation for 2-(dimethylamino)ethyl N-methylmethanimidothioate?
The canonical SMILES for 2-(dimethylamino)ethyl N-methylmethanimidothioate is C/N=C/SCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl N-methylmethanimidothioate?
The InChIKey is DXRDMMGFKLWQNM-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2S/c1-7-6-9-5-4-8(2)3/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of 2-(dimethylamino)ethyl N-methylmethanimidothioate?
2-(dimethylamino)ethyl N-methylmethanimidothioate has a molecular weight of 146.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N-methylmethanimidothioate is sourced from PubChem (CID 123655015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).