2-methyl-N-(pyridin-2-ylcarbamothioyl)benzamide
Basic information
- CAS
333740-38-8- Standard SMILES
Cc1ccccc1C(=O)NC(=S)Nc1ccccn1- InChIKey
XOEPKIVHZOAKTP-UHFFFAOYSA-N- Molecular formula
- C14H13N3OS
- Average molar mass
- 271.34 g/mol
- Monoisotopic mass
- 271.07793322
Names & identifiers
- Preferred name
- 2-methyl-N-(pyridin-2-ylcarbamothioyl)benzamide
- IUPAC
- 2-methyl-N-(pyridin-2-ylcarbamothioyl)benzamide
- English name
- N-(2-methylbenzoyl)-N'-(2-pyridinyl)thiourea
- Molecular formula
- C14H13N3OS
- Molecular weight
- 271.33752
Names & synonyms
2-methyl-N-(pyridin-2-ylcarbamothioyl)benzamideN-(2-methylbenzoyl)-N'-(2-pyridinyl)thioureaSCHEMBL5451730STK000715AKOS000623172ST50266934AG-690/154307422-methyl-N-[(pyridin-2-ylamino)carbonothioyl]benzamide(2-methylphenyl)-N-[(2-pyridylamino)thioxomethyl]carboxamide333740-38-8
Database identifiers
- CAS
333740-38-8- PubChem CID
- 801944
- EC Number
- 131-394-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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