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Pyridine-3-Aldehyde Thiosemicarbazone

CAT: 0286-P29650-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0286-P29650-01Size:100 mg
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CAS Number
555-90-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00014637
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Nicothiazone

Nicothiazone is a small molecule drug. The usage of the INN stem '-azone' in the name indicates that Nicothiazone is a anti-inflammatory analgesic, phenylbutazone derivative. Nicothiazone has a monoisotopic molecular weight of 180.05 Da.

CAS Number555-90-8
PubChem CID6474573
IUPAC Name[(E)-pyridin-3-ylmethylideneamino]thiourea
Molecular FormulaC7H8N4S
Molecular Weight180.23
XLogP0.1
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity180
SMILES
C1=CC(=CN=C1)/C=N/NC(=S)N
InChI
InChI=1S/C7H8N4S/c8-7(12)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12)/b10-5+
InChIKey
ABWLRVJYVVQTGQ-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of Nicothiazone
CAS: 555-90-8
CID: 6474573
Formula: C7H8N4S
MW: 180.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.23
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass180.04696745
Monoisotopic Mass180.04696745
Topological Polar Surface Area95.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
JH340723PYRIDINE-3-CARBOXALDEHYDE THIOSEMICARBAZONE
425139-013-Chlorobenzaldehyde Thiosemicarbazone
AAA487162,3-Indoledione 3-Thiosemicarbazone
SAA765885,7-dimethylisatin, 3-thiosemicarbazone
sc-335933(3Z) -5-ethyl-1H-indole-2,3-dione 3-thiosemicarbazone
sc-347477A1H-indole-2,3-dione 3-[N- (tetrahydrofuran-2-ylmethyl) thiosemicarbazone]
FP05593-01Pyridine-2-aldehyde
FC169501Cinnamaldehyde thiosemicarbazone
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