Basic information
- CAS
35272-19-6- Standard SMILES
Cc1nsc2ccc([N+](=O)[O-])cc12- InChIKey
UUOMNUMWKBVHNG-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2S
- Average molar mass
- 194.21 g/mol
- Monoisotopic mass
- 194.01499861
Names & identifiers
- Preferred name
- 3-Methyl-5-nitrobenzoisothiazole
- IUPAC
- 3-methyl-5-nitro-1,2-benzothiazole
- English name
- 3-Methyl-5-nitrobenzoisothiazole
- Molecular formula
- C8H6N2O2S
- Molecular weight
- 194.21
Names & synonyms
3-Methyl-5-nitrobenzoisothiazole35272-19-6DTXSID10355694RefChem:280966DTXCID203067533-methyl-5-nitro-1,2-benzothiazole3-methyl-5-nitrobenzo[d]isothiazoleMFCD018303231,2-Benzisothiazole, 3-methyl-5-nitro-SCHEMBL40409963-Methyl-5-nitrobenzisothiazoleSCHEMBL31165708
Show more names
3-[(3-Methyl-5-nitrophenyl)Methyl]-1,2-thiazole
3-methyl-5-nitro-BenzisothiazoleUUOMNUMWKBVHNG-UHFFFAOYSA-NSBB091734AKOS0062793385-nitro-3-methyl-1,2-benzisothiazoleCS-W002827DS-1509SY025967
Database identifiers
- CAS
35272-19-6- PubChem CID
- 816715
- DTXSID
DTXSID10355694- Nikkaji
- J2.472.641J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers38 total
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…