Basic information
- CAS
6846-35-1- Standard SMILES
Nc1nc(=S)ss1- InChIKey
YWZHEXZIISFIDA-UHFFFAOYSA-N- Molecular formula
- C2H2N2S3
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 149.93801106
Overview
a sulfurising agent; structure in first source
Names & identifiers
- Preferred name
- Xanthane hydride
- IUPAC
- 5-amino-1,2,4-dithiazole-3-thione
- English name
- xanthane hydride
- Molecular formula
- C2H2N2S3
- Molecular weight
- 150.25
Names & synonyms
3-Amino-1,2,4-dithiazole-5-thioneXanthane hydrideRefChem:5322956846-35-15-Amino-3H-1,2,4-dithiazole-3-thioneXanthanohydrogen5-Imino-1,2,4-dithiazolidine-3-thioneIsoperthiocyanic acid5-amino-1,2,4-dithiazole-3-thioneXanthahydrogen5-Imino-5H-[1,2,4]dithiazole-3-thiol1,2,4-DITHIAZOLIDINE-3-THIONE, 5-IMINO-
Show more names
isoperthiocyanicacidNsc652483-AMino-1Aids125210Aids-125210Hydroxanthin
3H-1,2,4-Dithiazole-3-thione, 5-amino-6446-35-1MFCD00051660NSC 65248MLS0026935051,2,4-Dithiazole-3-thione, 5-amino-3-Imino-3H-1,2,4-dithiazole-5-thiol5-AMINO-[1,2,4]DITHIAZOLE-3-THIONE
Database identifiers
- CAS
6846-35-1- PubChem CID
- 2735329
- DTXSID
DTXSID90218576- ChEMBL
CHEMBL1870250- EC Number
- 229-933-3
- Nikkaji
- J54.920G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 201 · 201-203°C
- Boiling point
- 2 °C · 2.00 °C
- Density
- 2 · 2.00
- refractive index
- 1.53 · 1.5300 (estimate)
- Flash point
- 124 °C · 124 °C
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- -1.03 · -1.03±0.20(Predicted)
- color
- Light yellow to Brown
- InChI
- InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)
- InChIKey
- YWZHEXZIISFIDA-UHFFFAOYSA-N
- SMILES
- S1C(N)=NC(=S)S1
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)
Aggregated GHS information provided per 42 reports by companies from 5 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
- rtecs
- JO6500000
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335-H373
- Precautionary statements
- P260-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
DescriptionXanthane hydride, also known as 3-amino-1,2,4-dithiazole-5-thione, is a crucial ingredient for oligonucleotide synthesis. It has a molecular formula of C2H2N2S3 and appears as yellow crystals. xanthane hydride is widely utilized in organic synthesis and plays a significant role as a sulfur reagent in the solid-phase synthesis of thioantisense oligonucleotides.
Uses3-Imino-3H-1,2,4-dithiazole-5-thiol is used in preparation of amino dithiazole thione.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Related reactions
25 records
Compound notes
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