2-((Thiazol-5-ylmethyl)thio)ethanamine

HCID 12923407

Notes Reactions

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Basic information

CAS: 62174-88-3
Standard SMILES: NCCSCc1cncs1
InChIKey: NOEMOUFBSZLXIZ-UHFFFAOYSA-N
Molecular formula: C6H10N2S2
Average molar mass: 174.3 g/mol
Monoisotopic mass: 174.02854032

Names & identifiers

Preferred name: 2-((Thiazol-5-ylmethyl)thio)ethanamine
IUPAC: 2-(1,3-thiazol-5-ylmethylsulfanyl)ethanamine

Names & synonyms

62174-88-32-((thiazol-5-ylmethyl)thio)ethanamineSCHEMBL11228218DTXSID10513070NOEMOUFBSZLXIZ-UHFFFAOYSA-N5-(2-aminoethyl)thiomethylthiazole5-[(2-aminoethyl)thiomethyl]thiazole2-{[(1,3-Thiazol-5-yl)methyl]sulfanyl}ethan-1-amine

Database identifiers

CAS: 62174-88-3
PubChem CID: 12923407
DTXSID: DTXSID10513070

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 92.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 89.8

Related reactions

4 records

New reaction record

HRID 812795As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 903248As reactantuspto-grants-1980_10

HRID 1231508As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2071921As productuspto-grants-1977_09

Compound notes

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