[(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea

C8H8BrN3OS — CID 168534135

IUPAC[(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cc(O)ccc1Br
InChIInChI=1S/C8H8BrN3OS/c9-7-2-1-6(13)3-5(7)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)
InChIKeySCIFEFFKVRMTQD-UHFFFAOYSA-N
MW274.14 g/mol
LogP1.32
Rot. Bonds2

About [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea

[(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 168534135) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea
PubChem CID168534135
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC Name[(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cc(O)ccc1Br
InChIInChI=1S/C8H8BrN3OS/c9-7-2-1-6(13)3-5(7)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)
InChIKeySCIFEFFKVRMTQD-UHFFFAOYSA-N
XLogP1.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

[(5-bromo-2,3-difluoro-4-hydroxyphenyl)methylideneamino]thiourea
CID 168536107
[(2-bromo-4-methylphenyl)methylideneamino]thiourea
CID 168534183
[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135851173
[(5-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168534129
[(4-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 168535620
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
CID 71951581
[(Z)-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]thiourea
CID 135851665
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[(3-bromo-4-iodophenyl)methylideneamino]thiourea
CID 168536440
[(5-bromo-2-fluoro-4-methoxyphenyl)methylideneamino]thiourea
CID 168535358
[(E)-(3-bromophenyl)methylideneamino]thiourea
CID 7695054
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
CID 681134

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea (CID 168534135) is [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea is NC(=S)NN=Cc1cc(O)ccc1Br.
What is the InChIKey of [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is SCIFEFFKVRMTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c9-7-2-1-6(13)3-5(7)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14).
What are the key properties of [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea?
[(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 274.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 168534135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).