Basic information
- CAS
6861-61-6- Standard SMILES
SC1CCC1- InChIKey
WEMTXCOQGNENQZ-UHFFFAOYSA-N- Molecular formula
- C4H8S
- Average molar mass
- 88.17 g/mol
- Monoisotopic mass
- 88.03467126
Names & identifiers
- Preferred name
- Cyclobutanethiol
- IUPAC
- cyclobutanethiol
- English name
- Cyclobutanethiol
- Molecular formula
- C4H8S
- Molecular weight
- 88.17
Names & synonyms
Cyclobutanethiol6861-61-6DTXSID80337629RefChem:129399DTXCID10288716818-491-2WEMTXCOQGNENQZ-UHFFFAOYSA-NMFCD24076230thiocyclobutaneMercaptocyclobutaneSCHEMBL106101SCHEMBL106102
Show more names
SCHEMBL5596487SCHEMBL8950347SCHEMBL28150014AKOS019807810AT12396FC165226SY046222EN300-226701
Database identifiers
- CAS
6861-61-6- PubChem CID
- 543741
- DTXSID
DTXSID80337629- EC Number
- 818-491-2
- Nikkaji
- J129.195E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.6
Experimental & physicochemical properties
SpringerMaterials PropertiesAtomic environment
Physicochemical properties
- Boiling point
- 101 · 101-103 °C
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 10.87 · 10.87±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319-H226
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 (33.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H335-H302-H315-H319-H226
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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