2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide

C8H21Br2N3S — CID 3063090

IUPAC2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide
SMILESBr.Br.C/N=C(\SCCN(C)C)N(C)C
InChIInChI=1S/C8H19N3S.2BrH/c1-9-8(11(4)5)12-7-6-10(2)3;;/h6-7H2,1-5H3;2*1H/b9-8-;;
InChIKeyIUFFOWHJHDNFLY-ULDSSAIZSA-N
MW351.15 g/mol
LogP1.98
Rot. Bonds3

About 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide

2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide (PubChem CID 3063090) has the molecular formula C8H21Br2N3S and a molecular weight of 351.15 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide
PubChem CID3063090
Molecular FormulaC8H21Br2N3S
Molecular Weight351.15 g/mol
Exact Mass348.98
IUPAC Name2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide
SMILESBr.Br.C/N=C(\SCCN(C)C)N(C)C
InChIInChI=1S/C8H19N3S.2BrH/c1-9-8(11(4)5)12-7-6-10(2)3;;/h6-7H2,1-5H3;2*1H/b9-8-;;
InChIKeyIUFFOWHJHDNFLY-ULDSSAIZSA-N
XLogP1.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,N,N'-trimethylcarbamimidothioate;dihydrobromide?
The IUPAC name of 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide (CID 3063090) is 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide.
What is the SMILES notation for 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide?
The canonical SMILES for 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide is Br.Br.C/N=C(\SCCN(C)C)N(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide?
The InChIKey is IUFFOWHJHDNFLY-ULDSSAIZSA-N. The full InChI is InChI=1S/C8H19N3S.2BrH/c1-9-8(11(4)5)12-7-6-10(2)3;;/h6-7H2,1-5H3;2*1H/b9-8-;;.
What are the key properties of 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide?
2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide has a molecular weight of 351.15 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate;dihydrobromide is sourced from PubChem (CID 3063090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).