1,3-bis(2-chlorophenyl)thiourea

C13H10Cl2N2S — CID 718337

IUPAC1,3-bis(2-chlorophenyl)thiourea
SMILESS=C(Nc1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C13H10Cl2N2S/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
InChIKeyRJTJZLBYKUDXRD-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.80
Rot. Bonds2

About 1,3-bis(2-chlorophenyl)thiourea

1,3-bis(2-chlorophenyl)thiourea (PubChem CID 718337) has the molecular formula C13H10Cl2N2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 1,3-bis(2-chlorophenyl)thiourea.

Molecular Properties

Compound Name1,3-bis(2-chlorophenyl)thiourea
PubChem CID718337
Molecular FormulaC13H10Cl2N2S
Molecular Weight297.21 g/mol
Exact Mass295.99
IUPAC Name1,3-bis(2-chlorophenyl)thiourea
SMILESS=C(Nc1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C13H10Cl2N2S/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
InChIKeyRJTJZLBYKUDXRD-UHFFFAOYSA-N
XLogP4.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Diphenylthiourea
CID 700999
N-(2-Chlorophenyl)thiourea
CID 737139
N-(2,5-Dichlorophenyl)thiourea
CID 2731095
Di-p-chlorophenylthiourea
CID 2798589
4,4'-Dichlorocarbanilide
CID 94996
4-Chlorophenyl-2-thiourea
CID 735843
N-(2-Chlorophenyl)hydrazinecarbothioamide
CID 717704
3,5-Dichlorophenylthiourea
CID 2737539
Thiourea, (3-chlorophenyl)-
CID 2734794
1-(3-Chlorophenyl)-3-phenylurea
CID 295366
1,3-Bis(2-chlorophenyl)urea
CID 236222
N-(2,6-Dichlorophenyl)thiourea
CID 722776

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-chlorophenyl)thiourea?
The IUPAC name of 1,3-bis(2-chlorophenyl)thiourea (CID 718337) is 1,3-bis(2-chlorophenyl)thiourea.
What is the SMILES notation for 1,3-bis(2-chlorophenyl)thiourea?
The canonical SMILES for 1,3-bis(2-chlorophenyl)thiourea is S=C(Nc1ccccc1Cl)Nc1ccccc1Cl.
What is the InChIKey of 1,3-bis(2-chlorophenyl)thiourea?
The InChIKey is RJTJZLBYKUDXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2S/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18).
What are the key properties of 1,3-bis(2-chlorophenyl)thiourea?
1,3-bis(2-chlorophenyl)thiourea has a molecular weight of 297.21 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-chlorophenyl)thiourea is sourced from PubChem (CID 718337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).