Basic information
- CAS
23749-87-3- Standard SMILES
S=C(NCc1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)c(Cl)c1- InChIKey
QSXLKFCJGCHVKC-UHFFFAOYSA-N- Molecular formula
- C15H12Cl4N2S
- Average molar mass
- 394.1 g/mol
- Monoisotopic mass
- 391.94753
Names & identifiers
- Preferred name
- Urea, 1,3-bis(3,4-dichlorobenzyl)-2-thio-
- IUPAC
- 1,3-bis[(3,4-dichlorophenyl)methyl]thiourea
- English name
- 1,3-Bis(3,4-dichlorobenzyl)thiourea
- Molecular formula
- C15H12Cl4N2S
- Molecular weight
- 394.15
Names & synonyms
Urea, 1,3-bis(3,4-dichlorobenzyl)-2-thio-23749-87-31,3-Bis(3,4-dichlorobenzyl)-2-thioureaNSC-221248KAU7459B2QDTXSID10178421RefChem:1100699DTXCID40100912N,N'-Bis[(3,4-dichlorophenyl)methyl]thioureaNSC 221248BRN 30691291,4-dichlorobenzyl)-2-thiourea
Show more names
1,3-Bis(3,4-dichlorobenzyl)thiourea
NSC2212484-12-00-02392 (Beilstein Handbook Reference)WLN: GR BG D1MYUS&M1R CG DGUrea,3-bis(3,4-dichlorobenzyl)-2-thio-Thiourea, N,N'-bis[(3,4-dichlorophenyl)methyl]-
Database identifiers
- CAS
23749-87-3- PubChem CID
- 3034612
- DTXSID
DTXSID10178421- UNII
- KAU7459B2Q
- Nikkaji
- J49.091A
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- FDA UNII
- 7459 B2Q · KAU7459B2Q
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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