1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea

C14H11BrClN3S — CID 75087413

IUPAC1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea
SMILESS=C(NN=Cc1cccc(Br)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11BrClN3S/c15-11-4-1-3-10(7-11)9-17-19-14(20)18-13-6-2-5-12(16)8-13/h1-9H,(H2,18,19,20)
InChIKeyGOAAODQCNKFAJP-UHFFFAOYSA-N
MW368.69 g/mol
LogP4.42
Rot. Bonds3

About 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea

1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea (PubChem CID 75087413) has the molecular formula C14H11BrClN3S and a molecular weight of 368.69 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea.

Molecular Properties

Compound Name1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea
PubChem CID75087413
Molecular FormulaC14H11BrClN3S
Molecular Weight368.69 g/mol
Exact Mass366.95
IUPAC Name1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea
SMILESS=C(NN=Cc1cccc(Br)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11BrClN3S/c15-11-4-1-3-10(7-11)9-17-19-14(20)18-13-6-2-5-12(16)8-13/h1-9H,(H2,18,19,20)
InChIKeyGOAAODQCNKFAJP-UHFFFAOYSA-N
XLogP4.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.69
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromophenyl)methylideneamino]-3-(4-chlorophenyl)thiourea
CID 123276505
1-(3-chlorophenyl)-3-[(4-chlorophenyl)methylideneamino]thiourea
CID 3813844
1-(3-chlorophenyl)-3-[(4-methylphenyl)methylideneamino]thiourea
CID 75087498
1-[(Z)-(3-chlorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7965995
1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 75087460
1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
CID 3851146
[(E)-(3-bromophenyl)methylideneamino]thiourea
CID 7695054
1-(3-chlorophenyl)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 3375542
2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
CID 19617349
1-[(E)-(3-bromophenyl)methylideneamino]-3-prop-2-enylthiourea
CID 7695022
1-[(3-bromophenyl)methylideneamino]-3-prop-2-enylthiourea
CID 3625967
1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
CID 909294

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea?
The IUPAC name of 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea (CID 75087413) is 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea.
What is the SMILES notation for 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea?
The canonical SMILES for 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea is S=C(NN=Cc1cccc(Br)c1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea?
The InChIKey is GOAAODQCNKFAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3S/c15-11-4-1-3-10(7-11)9-17-19-14(20)18-13-6-2-5-12(16)8-13/h1-9H,(H2,18,19,20).
What are the key properties of 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea?
1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea has a molecular weight of 368.69 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea is sourced from PubChem (CID 75087413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).