1,1-Bis(methylsulfanyl)-2-nitroethane

HCID 12372264CAS 66031-28-5
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Basic information

Standard SMILES
CSC(C[N+](=O)[O-])SC
InChIKey
JTVIRZXORWVLBQ-UHFFFAOYSA-N
Molecular formula
C4H9NO2S2
Average molar mass
167.3 g/mol
Monoisotopic mass
167.00747053

Names & identifiers

Preferred name
1,1-Bis(methylsulfanyl)-2-nitroethane
IUPAC
1,1-bis(methylsulfanyl)-2-nitroethane

Names & synonyms

1,1-Bis(methylsulfanyl)-2-nitroethane66031-28-5SCHEMBL4396137DTXSID80494908JTVIRZXORWVLBQ-UHFFFAOYSA-N1,1-bis(methylthio)-2-nitroethane1,1-bis-(methylthio)-2-nitroethane

Database identifiers

CAS
66031-28-5
PubChem CID
12372264
DTXSID
DTXSID80494908

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
96.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
9

Related reactions

10 records
New reaction record

Linked notes

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