Basic information
- CAS
872-93-5- Standard SMILES
CC1CCS(=O)(=O)C1- InChIKey
CMJLMPKFQPJDKP-UHFFFAOYSA-N- Molecular formula
- C5H10O2S
- Average molar mass
- 134.2 g/mol
- Monoisotopic mass
- 134.04015073
Names & identifiers
- Preferred name
- 3-Methylsulfolane
- IUPAC
- 3-methylthiolane 1,1-dioxide
- English name
- 3-Methylsulfolane
- Molecular formula
- C5H10O2S
- Molecular weight
- 134.2
Names & synonyms
3-Methylsulfolane872-93-5Thiophene, tetrahydro-3-methyl-, 1,1-dioxideEINECS 212-833-9NSC 770783-Methylthiacyclopentane 1,1-dioxideDTXSID40870789RefChem:94961DTXCID60818481CMJLMPKFQPJDKP-UHFFFAOYSA-N3-Methyltetrahydrothiophene 1,1-dioxideMFCD00005487
Show more names
Methylsulfolane3-Methylsulfonate3-Methylsulfolane>3-Methylthiolane 1,1-Dioxide(3S)-3-methylthiolane 1,1-dioxideTetrahydro-3-methylthiophene 1,1-dioxidethiophene,tetrahydro-3-methyl-,1,1-dioxide
3-methylthiolane 1,1-dioxideNSC770783-methylthiolane-1,1-dioneSCHEMBL98606SCHEMBL1515188SCHEMBL3765300SCHEMBL10654673SCHEMBL10829741
Database identifiers
- CAS
872-93-5- PubChem CID
- 79119
- DTXSID
DTXSID40870789- EC Number
- 212-833-9
- Nikkaji
- J3.792.735J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 0.5 °C · 0.5°C
- Boiling point
- 104 °C · 104 °C / 3mmHg
- Density
- 1.2 · 1.20
- vapor pressure
- 0.885 Pa · 0.885Pa at 25℃
- refractive index
- 1.475 to · 1.4750 to 1.4790
- form
- liquid
- color
- Colorless to Light yellow
- Water Solubility
- 1000 g/L · 1000g/L at 20℃
- Dielectric constant
- 29.4 · 29.399999999999999
- LogP
- -0.4 at · -0.4 at 20℃
- EPA Substance Registry System
- -3 · Thiophene, tetrahydro-3-methyl-, 1,1-dioxide (872-93-5)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H373-H319
- Precautionary statements
- 260 · P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P319, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-methyltetrahydrothiophene 1,1-dioxide (EC: 212-833-9)
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H301-H373-H319
- REACH Registrations
- Active
- Precautionary statements
- P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, tetrahydro-3-methyl-, 1,1-dioxide: ACTIVE
Suppliers41 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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