Basic information
- CAS
5310-14-5- Standard SMILES
CNC(=S)c1ccccc1- InChIKey
VXQROEXTWNTASQ-UHFFFAOYSA-N- Molecular formula
- C8H9NS
- Average molar mass
- 151.23 g/mol
- Monoisotopic mass
- 151.04557046
Overview
causes pulmonary edema
Names & identifiers
- Preferred name
- N-Methylbenzenecarbothioamide
- IUPAC
- N-methylbenzenecarbothioamide
- English name
- N-methylthiobenzamide
- Molecular formula
- C8H9NS
- Molecular weight
- 151.23
Names & synonyms
N-MethylbenzenecarbothioamideN-Methylthiobenzamide5310-14-5Benzenecarbothioamide, N-methyl-Benzamide, N-methylthio-B86Z36HP58NSC-525270DTXSID90201185RefChem:163906DTXCID90123676N-MethylbenzothioamideNSC 525270
Show more names
BRN 19065494-09-00-01376 (Beilstein Handbook Reference)UNII-B86Z36HP58Benzenecarbothioamide,n-methyl-SCHEMBL1379363SCHEMBL6971685SCHEMBL6971704SCHEMBL9839909
Database identifiers
- CAS
5310-14-5- PubChem CID
- 3034652
- DTXSID
DTXSID90201185- UNII
- B86Z36HP58
- Nikkaji
- J73.141B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 81.5 °C · 81.5 °C(Solv: water (7732-18-5))
- Boiling point
- 225.1 · 225.1±23.0 °C(Predicted)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 12.45 · 12.45±0.70(Predicted)
- Appearance
- Light yellow to green yellow Solid
- FDA UNII
- 86 Z36HP58 · B86Z36HP58
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312-H315-H319-H335
- Precautionary statements
- 262 · P262-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P310
- RIDADR
- 2811 · UN2811
- HazardClass
- 6.1 · 6.1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN2811
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- Hazard statements
- H301-H312-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P262-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P310
Chemistry & industry
Suppliers5 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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