Basic information
- CAS
5842-00-2- Standard SMILES
CCCCNCCS- InChIKey
OUMFAUYLXGTBCX-UHFFFAOYSA-N- Molecular formula
- C6H15NS
- Average molar mass
- 133.26 g/mol
- Monoisotopic mass
- 133.09252048
Names & identifiers
- Preferred name
- 2-(Butylamino)ethanethiol
- IUPAC
- 2-(butylamino)ethanethiol
- English name
- 2-(BUTYLAMINO)ETHANETHIOL
- Molecular formula
- C6H15NS
- Molecular weight
- 133.26
Names & synonyms
2-(Butylamino)ethanethiol5842-00-2Ethanethiol, 2-(butylamino)-NSC-82296L9T9M73LERDTXSID10207124BAET cpdRefChem:84608DTXCID10129615227-431-92-N-Butylaminoethanethiol(Butylamino)ethanethiol
Show more names
N-Butylcysteamine2-N-butylaminoethylthiol2-(Butylamino)ethanetiol2-(butylamino)-ethanethio
EINECS 227-431-92-(butylamino)ethane-1-thiolNSC 82296BRN 09691954-04-00-01602 (Beilstein Handbook Reference)NSC82296SCHEMBL342393SCHEMBL5932999
Database identifiers
- CAS
5842-00-2- PubChem CID
- 1520
- DTXSID
DTXSID10207124- UNII
- L9T9M73LER
- EC Number
- 227-431-9
- Nikkaji
- J218.095B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 39.5
Physicochemical properties
- Boiling point
- 112 · 112-115 °C10 mm Hg(lit.)
- Density
- 0.901 g/mL · 0.901 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4711(lit.)
- Flash point
- 163 °F · 163 °F
- pka
- 8.91 · 8.91±0.10(Predicted)
- form
- liquid
- InChI
- 1S/C6H15NS/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
- InChIKey
- OUMFAUYLXGTBCX-UHFFFAOYSA-N
- SMILES
- CCCCNCCS
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- KJ0339000
- ridadr
- UN 3334
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesPhotocatalytic oxidation of VX simulant 2-(butylamino)ethanethiol.: This paper investigates the photocatalytic oxidation of 2-(Butylamino)ethanethiol, a simulant for the nerve agent VX. The findings indicate that photocatalytic processes can effectively degrade sulfur-containing compounds, suggesting applications in decontamination and hazardous material management. This research provides insights into the environmental remediation of toxic chemical agents (Vorontsov et al., 2004).
Suppliers15 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Related reactions
2 records
Compound notes
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