Basic information
- CAS
102613-14-9- Standard SMILES
C=CCc1c(C)[nH]c(=S)[nH]c1=O- InChIKey
IBWZVOPQOIWLAD-UHFFFAOYSA-N- Molecular formula
- C8H10N2OS
- Average molar mass
- 182.25 g/mol
- Monoisotopic mass
- 182.05138412
Names & identifiers
- Preferred name
- Uracil, 5-allyl-6-methyl-2-thio-
- IUPAC
- 6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
- English name
- 5-Allyl-2-mercapto-6-methyl-pyrimidin-4-ol
- Molecular formula
- C8H10N2OS
- Molecular weight
- 182.24
Names & synonyms
102613-14-95-Allyl-6-methyl-2-thiouracilUracil, 5-allyl-6-methyl-2-thio-BRN 0129965DTXSID601453805-Allyl-4-hydroxy-2-mercapto-6-methylpyrimidine4-24-00-01385 (Beilstein Handbook Reference)4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-5-(2-propen-1-yl)-2-thioxo-RefChem:387021DTXCID7067871IBWZVOPQOIWLAD-UHFFFAOYSA-N5-allyl-2-mercapto-6-methylpyrimidin-4(3H)-one
Show more names
BUTTPARK 8\02-875-Allyl-2-mercapto-6-methyl-pyrimidin-4-ol
6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one5-Allyl-2-mercapto-6-methylpyrimidin-4-olMFCD01951136Maybridge4_0030316-methyl-5-(prop-2-en-1-yl)-2-sulfanylpyrimidin-4-olCCG-835HMS1529J17ALBB-005062
Database identifiers
- CAS
102613-14-9- PubChem CID
- 697213
- DTXSID
DTXSID60145380- Nikkaji
- J96.602I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers7 total
BUTTPARK[email protected]
COMBI-BLOCKS[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
TYGER[email protected]
MATRIX[email protected]
APOLLO-NMR[email protected]
FULCRUM—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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