Basic information
- CAS
60458-71-1- Standard SMILES
Cc1cc(C)nc(SCC(=O)NN)n1- InChIKey
RLCZMVPGNOZVLO-UHFFFAOYSA-N- Molecular formula
- C8H12N4OS
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.07318219
Names & identifiers
- Preferred name
- 2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide
- IUPAC
- 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
- English name
- (4,6-DIMETHYL-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE
- Molecular formula
- C8H12N4OS
- Molecular weight
- 212.27
Names & synonyms
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide2-((4,6-dimethylpyrimidin-2-yl)sulfanyl)acetohydrazideRefChem:448397107-435-660458-71-1(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acetic acid hydrazide2-((4,6-Dimethylpyrimidin-2-yl)thio)acetohydrazide2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazideMFCD001815952-(4,6-dimethylpyrimidin-2-ylthio)acetohydrazide2-[(4,6-Dimethylpyrimidin-2-yl)thio]acetohydrazideTimTec1_000226
Show more names
2-[(4,6-Dimethyl-2-pyrimidinyl)thio]acetic acid hydrazideAcetic acid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-, hydrazide
MLS000711506CHEMBL1556253DTXSID801328116HMS1534K06HMS2661P07SBB062609STK100762AKOS000383987
Database identifiers
- CAS
60458-71-1- PubChem CID
- 668161
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
Solubility24.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 447.9 · 447.9±33.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 12.1 · 12.10±0.37(Predicted)
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
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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