N-(4,5-Dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-N-methylformamide
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Basic information
- CAS
21787-65-5- Standard SMILES
CN(C=O)c1c2sscc-2[nH]c1=O- InChIKey
BFQVDMXSAODADC-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2S2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 213.98706979
Overview
a cytokinesis modulator and antimitotic agent; structure in first source
Names & identifiers
- Preferred name
- N-(4,5-Dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-N-methylformamide
- IUPAC
- N-methyl-N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)formamide
- English name
- N-(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-N-methylformamide
- Molecular formula
- C7H6N2O2S2
- Molecular weight
- 214.26
Names & synonyms
n-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-n-methylformamidepyrroloformamideN-(4,5-Dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-N-methylformamideRefChem:92679221787-65-5Formamide, N-(4,5-dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-N-methyl-N-methyl-N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)formamideBRN 0614433CHEMBL46389086-(N-Methylformamido)-5-oxo-1,2-dithiolo(4,3-b)pyrroleDTXSID209443961,2-Dithiolo(4,3-b)pyrrole, 6-(N-methylformamido)-5-oxo-
Show more names
HA-9VD-844Formamide, N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-N-methyl-
VD844N-Methyl-N-(5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)formamideN-(5-Hydroxy[1,2]dithiolo[4,3-b]pyrrol-6-yl)-N-methylformamide
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 2500ug/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in mouse: 2500ug/kg
Related reactions
0 records
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Compound notes
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