1-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea
Basic information
- CAS
5280-20-6- Standard SMILES
Cc1cccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])s2)c1- InChIKey
LDIYKAIBQSIQBY-RIYZIHGNSA-N- Molecular formula
- C13H12N4O2S2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.04016799
Names & identifiers
- Preferred name
- 1-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea
- IUPAC
- 1-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea
Names & synonyms
MLS0005533805280-20-6SMR000175434AN-329/401966011-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thioureacid_693266CHEMBL1993788BDBM79985DTXSID904162771-(m-tolyl)-3-[(5-nitro-2-thienyl)methyleneamino]thiourea5-nitro-2-thiophenecarbaldehyde N-(3-methylphenyl)thiosemicarbazoneMFCD00593368
Show more names
STK059418ZINC33246945AKOS000483260ST035733ZINC000008578206AB00078936-01S=C(Nc1cccc(c1)C)NN=Cc1ccc(s1)(N+)(=O)(O)1(MTOLYL)3((5NITRO2THIENYL)METHYLENEAMINO)THIOUREA
Database identifiers
- CAS
5280-20-6- PubChem CID
- 5331702
- DTXSID
DTXSID90416277- ChEMBL
CHEMBL1993788
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…