2-aminoethyl carbamimidothioate;dihydrobromide

C3H11Br2N3S — CID 5940

IUPAC2-aminoethyl carbamimidothioate;dihydrobromide
SMILESBr.Br.[H]/N=C(\N)SCCN
InChIInChI=1S/C3H9N3S.2BrH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKeyXDVMCVGTDUKDHL-UHFFFAOYSA-N
MW281.02 g/mol
LogP0.73
Rot. Bonds2

About 2-aminoethyl carbamimidothioate;dihydrobromide

2-aminoethyl carbamimidothioate;dihydrobromide (PubChem CID 5940) has the molecular formula C3H11Br2N3S and a molecular weight of 281.02 g/mol. Its IUPAC name is 2-aminoethyl carbamimidothioate;dihydrobromide.

Molecular Properties

Compound Name2-aminoethyl carbamimidothioate;dihydrobromide
PubChem CID5940
Molecular FormulaC3H11Br2N3S
Molecular Weight281.02 g/mol
Exact Mass278.90
IUPAC Name2-aminoethyl carbamimidothioate;dihydrobromide
SMILESBr.Br.[H]/N=C(\N)SCCN
InChIInChI=1S/C3H9N3S.2BrH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKeyXDVMCVGTDUKDHL-UHFFFAOYSA-N
XLogP0.73
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.02
LogP ≤ 50.73
H-Bond Donors ≤ 53
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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Related Compounds

(2-Aminoethyl)isothiourea
CID 2039
3-Aminopropylisothiuronium
CID 113994
2-(2-Aminoethyl)-2-thiopseudourea monohydrobromide
CID 9815583
Pseudourea, 2-(3-aminopropyl)-2-thio-, dihydrobromide
CID 145992
3-Aminopropylisothiourea dihydrobromide
CID 54605684
S-(2-Aminoethyl)isothiouronium bromide hydrobromide
CID 44630056
[Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide
CID 59268
Carbamimidothioic acid, 3-aminobutyl ester, dihydrobromide
CID 112825
2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)
CID 120421
Pseudourea, 2-(2-(methylamino)ethyl)-2-thio-, dihydrobromide
CID 204334
Pseudourea, 2-aminoethyl-2-thio-, dihydroiodide
CID 3047515
Dihydrogen [(2-aminoethyl)sulfanyl]methanimidamide dibromide
CID 71774341

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl carbamimidothioate;dihydrobromide?
The IUPAC name of 2-aminoethyl carbamimidothioate;dihydrobromide (CID 5940) is 2-aminoethyl carbamimidothioate;dihydrobromide.
What is the SMILES notation for 2-aminoethyl carbamimidothioate;dihydrobromide?
The canonical SMILES for 2-aminoethyl carbamimidothioate;dihydrobromide is Br.Br.[H]/N=C(\N)SCCN.
What is the InChIKey of 2-aminoethyl carbamimidothioate;dihydrobromide?
The InChIKey is XDVMCVGTDUKDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S.2BrH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H.
What are the key properties of 2-aminoethyl carbamimidothioate;dihydrobromide?
2-aminoethyl carbamimidothioate;dihydrobromide has a molecular weight of 281.02 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl carbamimidothioate;dihydrobromide is sourced from PubChem (CID 5940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).