Basic information
- CAS
4756-13-2- Standard SMILES
SCC(S)CS- InChIKey
UWHMFGKZAYHMDJ-UHFFFAOYSA-N- Molecular formula
- C3H8S3
- Average molar mass
- 140.3 g/mol
- Monoisotopic mass
- 139.97881326
Overview
produced as undesirable side product in commercial synthesis of Dimercaprol (BAL)
Names & identifiers
- Preferred name
- 1,2,3-Propanetrithiol
- IUPAC
- propane-1,2,3-trithiol
- English name
- propane-1,2,3-trithiol
- Molecular formula
- C3H8S3
- Molecular weight
- 140.29
Names & synonyms
Propane-1,2,3-trithiol1,2,3-Trimercaptopropane1,2,3-propanetrithiol4756-13-2YC4K8VFQ7DDTXSID70197198RefChem:71431DTXCID80119689225-288-7PropanetrithiolEINECS 225-288-7BRN 1732066
Show more names
TRIMERCAPTOPROPANE1,2,3-Propanetristhiol
trithioglycerinTrithiol deriv.Propane, 1,2,3-trimercapto-4-01-00-02774 (Beilstein Handbook Reference)SCHEMBL331090SCHEMBL9400744MFCD00022094DB-255998
Database identifiers
- CAS
4756-13-2- PubChem CID
- 78495
- DTXSID
DTXSID70197198- UNII
- YC4K8VFQ7D
- EC Number
- 225-288-7
- Nikkaji
- J50.938H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 25.2
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 9 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
重庆福腾医药有限公司18696571988 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
7 records
Compound notes
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