Basic information
- CAS
1072-43-1- Standard SMILES
CC1CS1- InChIKey
MBNVSWHUJDDZRH-UHFFFAOYSA-N- Molecular formula
- C3H6S
- Average molar mass
- 74.15 g/mol
- Monoisotopic mass
- 74.01902136
Overview
Thiirane, 2-methyl- has been reported in Allium sativum and Allium cepa with data available.
Names & identifiers
- Preferred name
- Propylene sulfide
- IUPAC
- 2-methylthiirane
- English name
- Propylene sulfide
- Molecular formula
- C3H6S
- Molecular weight
- 74.14
Names & synonyms
Propylene sulfide2-Methylthiirane1072-43-1Thiirane, 2-methyl-DTXSID90870835RefChem:869840DTXCID00818521214-007-3Thiirane, methyl-Propene sulfide1,2-EpithiopropanePropylene sulphide
Show more names
methyl-thiiranpropenesulfide2-methyl-thiiranthiirane,methyl-
2-MethylthiacyclopropaneMethylthiiranePropylene episulfidePROPANE, 1,2-EPITHIO-NSC 36643NSC 48100Propylene Sulfide (stabilized with Butyl Mercaptan)MFCD00005160
Database identifiers
- CAS
1072-43-1- PubChem CID
- 14072
- DTXSID
DTXSID90870835- EC Number
- 214-007-3
- Nikkaji
- J50.917E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 26.5
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -91 °C · -91°C
- Boiling point
- 72 · 72-75 °C (lit.)
- Density
- 0.946 g/mL · 0.946 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.475(lit.)
- Flash point
- 50 °F · 50 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless
- Odor Threshold
- 0.001 ppm · 0.001ppm
- BRN
- 383559 · 383559
- InChI
- 1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3
- InChIKey
- MBNVSWHUJDDZRH-UHFFFAOYSA-N
- SMILES
- CC1CS1
- CAS DataBase Reference
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 9
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TZ2625000
- ridadr
- UN 1992 3/PG 2
- hs_code
- 29309099
- risk_code
- 11-20/22-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- F,Xn
- safety_code
- 16-26-36
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiirane, 2-methyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
7 records
Compound notes
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