Basic information
- CAS
6539-14-6- Standard SMILES
N=C1CCCS1- InChIKey
CNHYKKNIIGEXAY-UHFFFAOYSA-N- Molecular formula
- C4H7NS
- Average molar mass
- 101.17 g/mol
- Monoisotopic mass
- 101.02992022
Names & identifiers
- Preferred name
- 2-Iminothiolane
- IUPAC
- thiolan-2-imine
- English name
- 2-Iminothiolane
- Molecular formula
- C4H7NS
- Molecular weight
- 101.17
Names & synonyms
2-Iminothiolanethiolan-2-imine6539-14-62(3H)-Thiophenimine, dihydro-Dihydro-2(3H)-thiophenimineMFCD002160102-iminotetrahydrothiophenetetrahydrothiophen-2-imineTraut's reagent free base5FP46MY9AMSCHEMBL725384,5-dihydrothiophen-2-amine
Show more names
2-IMINOTHIOLANE HCl salt4,5-Dihydro-2-thiophenamineSCHEMBL93811982-Thiophenamine, 4,5-dihydro-DTXSID30984006CNHYKKNIIGEXAY-UHFFFAOYSA-NAKOS016015596BP-27870
Database identifiers
- CAS
6539-14-6- PubChem CID
- 433941
- DTXSID
DTXSID30984006- UNII
- 5FP46MY9AM
- EC Number
- 691-635-8
- Nikkaji
- J531.508E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 69.9
Physicochemical properties
- Boiling point
- 142.6 · 142.6±23.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 7.43 · 7.43±0.20(Predicted)
- FDA UNII
- 5 FP46MY9AM · 5FP46MY9AM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2928009090 · 2928009090
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2928009090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers4 total
Alfa Chemistry+1-5166625404 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
8 records
Compound notes
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