1-(3-Methoxycarbonyl-2-thioureido)-5-methylthio-2-nitrobenzene

HCID 20371013
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Basic information

Standard SMILES
COC(=O)NC(=S)Nc1cc(SC)ccc1[N+](=O)[O-]
InChIKey
JTBHLHMUQQQLTH-UHFFFAOYSA-N
Molecular formula
C10H11N3O4S2
Average molar mass
301.3 g/mol
Monoisotopic mass
301.01909819

Names & identifiers

Preferred name
1-(3-Methoxycarbonyl-2-thioureido)-5-methylthio-2-nitrobenzene
IUPAC
methyl N-[(5-methylsulfanyl-2-nitrophenyl)carbamothioyl]carbamate

Names & synonyms

SCHEMBL11654583JTBHLHMUQQQLTH-UHFFFAOYSA-N1-(3-methoxycarbonyl-2-thioureido)-5-methylthio-2-nitrobenzene

Database identifiers

PubChem CID
20371013

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
154 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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