Basic information
- CAS
5418-86-0- Standard SMILES
CSC(SC)SC- InChIKey
YFMZQCCTZUJXEB-UHFFFAOYSA-N- Molecular formula
- C4H10S3
- Average molar mass
- 154.3 g/mol
- Monoisotopic mass
- 153.99446332
Names & identifiers
- Preferred name
- Methane, tris(methylthio)-
- IUPAC
- tris(methylsulfanyl)methane
- English name
- TRIS(METHYLTHIO)METHANE
- Molecular formula
- C4H10S3
- Molecular weight
- 154.32
Names & synonyms
Tris(methylthio)methaneMethane, tris(methylthio)-Trimethyl trithioorthoformateMethyl orthotrithioformateTrithiomethoxymethaneOrthoformic acid, trithio-, trimethyl esterTris(methythio)methaneDTXSID60202528NSC 10536RefChem:156906DTXCID90125019629-033-4
Show more names
ris(methylsulfanyl)methaneTRI(METHYLTHIO)ORTHOFORMATETris(methylthio)methane 98%TRIS(METHYLTHIO)METHANE 98+%
YFMZQCCTZUJXEB-UHFFFAOYSA-N5418-86-0Tris(methylsulfanyl)methaneMFCD00009851NSC-10536NSC105363-Methylthio-2,4-Dithiapentanetri(methylthio)methane
Database identifiers
- CAS
5418-86-0- PubChem CID
- 138491
- DTXSID
DTXSID60202528- UNII
- 57W27QU8HQ
- EC Number
- 629-033-4
- Nikkaji
- J100.186H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 28.4
Physicochemical properties
- Melting point
- 16 °C · 16 °C (lit.)
- Boiling point
- 102 °C/15 · 102 °C/15 mmHg (lit.) 225-227 °C (lit.)
- Density
- 1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.577(lit.)
- Flash point
- 204 °F · 204 °F
- form
- liquid
- Odor
- 0.1 % · at 0.10 % in propylene glycol. earthy mushroom musty truffle
- Odor Type
- earthy
- biological source
- synthetic
- BRN
- 1733825 · 1733825
- Major Application
- flavors and fragrances
- InChI
- 1S/C4H10S3/c1-5-4(6-2)7-3/h4H,1-3H3
- InChIKey
- YFMZQCCTZUJXEB-UHFFFAOYSA-N
- SMILES
- CSC(SC)SC
- LogP
- 1.865 · 1.865 (est)
- UNSPSC Code
- 12352100 · 12352100
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationMethane, tris(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-13-21
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29309099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Applications
UsesTris(methylthio)methane has been used in synthesis of:()-nephrosteranic acid and ()-roccellaric acid(4R,5R)-5-({[1-(tert-butyl)-1,1-diphenylsilyl]oxy}methyl)4-[tri(methylthio)methyl]tetrahydro-furan-2-oneterminal difluoromethylenes
General DescriptionTris(methylthio)methane is a carboxylic anion equivalent.
Upstream & downstream products
Downstream products
Suppliers21 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
11 records
Compound notes
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