2-Nitroethane-1-thiol

Base Information

• Chemical Name: 2-Nitroethane-1-thiol
• CAS No.: 53770-80-2
• Molecular Formula: C₂H₅NO₂S
• Molecular Weight: 107.133
• DSSTox Substance ID: DTXSID60564052
• Wikidata: Q82448634
• Mol file: 53770-80-2.mol

Synonyms:2-nitroethane-1-thiol;2-nitroethanethiol;53770-80-2;SCHEMBL2096958;DTXSID60564052;JOGXYJKCOWWABM-UHFFFAOYSA-N;EN300-125856

Chemical Property of 2-Nitroethane-1-thiol

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 107.00409958
• Heavy Atom Count: 6
• Complexity: 50

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: C(CS)[N+](=O)[O-]

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