Basic information
- CAS
4104-45-4- Standard SMILES
CSCCCN- InChIKey
KKYSBGWCYXYOHA-UHFFFAOYSA-N- Molecular formula
- C4H11NS
- Average molar mass
- 105.2 g/mol
- Monoisotopic mass
- 105.06122035
Overview
3-methylthiopropylamine is a derivative of propylamine having a methylmercapto group at the 3-position. It is an organic sulfide and a primary amino compound. It is functionally related to a 3-aminopropane-1-thiol and a propylamine. It is a conjugate base of a 3-methylthiopropylaminium.
Names & identifiers
- Preferred name
- 3-(Methylthio)propylamine
- IUPAC
- 3-methylsulfanylpropan-1-amine
- English name
- 3-(Methylthio)propylamine
- Molecular formula
- C4H11NS
- Molecular weight
- 105.2
Names & synonyms
3-(Methylthio)propylamine4104-45-43-Methylthiopropylamine1-Propanamine, 3-(methylthio)-3-(methylsulfanyl)propan-1-amine3-methylsulfanylpropan-1-amine3-(methylthio)-1-propanamine1IAP0CGD5S3-Aminopropyl methyl sulfide3-(Methylmercapto)propylamineDTXSID10633001-AMINO-3-(METHYLTHIO)PROPANE
Show more names
4104-45-4 1,3-Dioxane3-(Methylmercapto)-propMethylmercaptopropylamine3-Methylthiopropylamine>3-(methylthio)-1-propanamin3-METHYLMERCAPTOPROPYLAMINE3-(Methylthio)propan-1-aMine3-METHYLTHIOPROPYLAMINE 96+%Methyl 3-aminopropyl sulfide
S-METHYLHOMOCYSTEAMINE3-(methylsulfanyl)propylamineFEMA NO. 4649CHEBI:16696RefChem:5043733-MTPADTXCID6039849223-875-2
Database identifiers
- CAS
4104-45-4
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 23.5
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.958-0.964 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point96-98 °C (60 mm Hg)
Refractive Index1.489-1.495
Physical DescriptionClear slightly yellow liquid; Pungent penetrating aroma
Physicochemical properties
- Boiling point
- 169 °C · 169 °C(lit.)
- Density
- 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4940(lit.)
- FEMA
- 4649 · 4649 | 3-(METHYLTHIO)PROPYLAMINE
- Flash point
- 62 °C · 62 °C
- form
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
This chemical does not meet GHS hazard criteria for 0.7% (1 of 138) of reports.
Danger
H314 (70.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 138 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanamine, 3-(methylthio)-
1-Propanamine, 3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1C (70.3%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN2735
- hs_code
- 29309090
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,C
- safety_code
- 26-36/37/39
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1-Propanamine, 3-(methylthio)-: ACTIVE
Applications
Uses3-(Methylthio)propylamine can be used in the synthesis of rhodium(III)complexes involving acyclic diaminedithioether(DADTE)ligands.
Upstream & downstream products
Downstream products
Suppliers72 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Related reactions
44 records
Compound notes
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