Basic information
- CAS
38048-81-6- Standard SMILES
CN(C)CCCS.Cl- InChIKey
HCEREWKVPIQLGP-UHFFFAOYSA-N- Molecular formula
- C5H14ClNS
- Average molar mass
- 155.69 g/mol
- Monoisotopic mass
- 155.05354813
Names & identifiers
- Preferred name
- 3-(Dimethylamino)propane-1-thiol hydrochloride
- IUPAC
- 3-(dimethylamino)propane-1-thiol;hydrochloride
- English name
- dimethyl(3-mercaptopropyl)ammonium chloride
- Molecular formula
- C5H14ClNS
- Molecular weight
- 155.68936
Names & synonyms
38048-81-63-(Dimethylamino)propane-1-thiol hydrochlorideRefChem:495068840-872-7Dimethyl(3-mercaptopropyl)ammonium chloride55778-17-11-Propanethiol, 3-(dimethylamino)-, hydrochloride3-(Dimethylamino)-1-propanethiol hydrochloride3-(dimethylamino)propane-1-thiol;hydrochlorideEINECS 259-815-7SCHEMBL6057729DTXSID10971151
Show more names
GEO-03245MFCD00054635AKOS0281138183-(dimethylamino)propanethiol hydrochlorideH40304EN300-67542583-(Dimethylamino)propane-1-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
38048-81-6、55778-17-1- PubChem CID
- 12947129
- DTXSID
DTXSID10971151- EC Number
- 259-815-7、840-872-7
Properties
Computed structural properties
- Topological polar surface area
- 4.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 37.1
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Chemistry & industry
Suppliers9 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海熙誉化学科技有限公司021-15000143735 15221126179 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
河南科弘生物科技有限公司0371-55969461 19139748274 · [email protected]
Related reactions
1 records
Compound notes
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