Basic information
- CAS
21100-03-8- Standard SMILES
NCCCCS- InChIKey
RIRRYXTXJAZPMP-UHFFFAOYSA-N- Molecular formula
- C4H11NS
- Average molar mass
- 105.2 g/mol
- Monoisotopic mass
- 105.06122053
Names & identifiers
- Preferred name
- 1-Butanethiol, 4-amino-
- IUPAC
- 4-aminobutane-1-thiol
- English name
- 4-Amino-1-butanethiol
- Molecular formula
- C4H11NS
- Molecular weight
- 105.2
Names & synonyms
4-aminobutane-1-thiol21100-03-81-BUTANETHIOL, 4-AMINO-4-Amino-1-butanethiol4-MercaptobutylamineBRN 1731413DTXSID901753324-04-00-01718 (Beilstein Handbook Reference)RefChem:430860DTXCID0097823826-396-2SCHEMBL62590
Show more names
4-aminobutane-1-thiol hydrochloride
SCHEMBL5857639SCHEMBL28098044MFCD01741155AKOS006346778AT25915FA170816SY313724EN300-151444
Database identifiers
- CAS
21100-03-8- PubChem CID
- 30486
- DTXSID
DTXSID90175332- EC Number
- 826-396-2
- Nikkaji
- J1.853.808C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 23.5
Physicochemical properties
- Boiling point
- 175 · 175.0±23.0 °C(Predicted)
- Density
- 0.936 · 0.936±0.06 g/cm3(Predicted)
- pka
- 9.99 · 9.99±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-Aminobutane-1-thiol Hydrochloride is a useful compound for the preparation of a multifunctional silane coupling agent.
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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