5-(Hydroxymethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Basic information
- CAS
93185-31-0- Standard SMILES
O=c1[nH]c(=S)[nH]cc1CO- InChIKey
ANMAXDCIDVNRHA-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2S
- Average molar mass
- 158.18 g/mol
- Monoisotopic mass
- 158.01499861
Names & identifiers
- Preferred name
- 5-(Hydroxymethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- IUPAC
- 5-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
- English name
- 5-(HYDROXYMETHYL)-2-THIOURACIL
- Molecular formula
- C5H6N2O2S
- Molecular weight
- 158.18
Names & synonyms
93185-31-05-(Hydroxymethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one5-(Hydroxymethyl)-2-thiouracil5-HydroxyMethyl-2-thiouracil5-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-oneorb1908296SCHEMBL21345745DTXSID90371458TNU0700AKOS024260774SB56127F12768
Show more names
RARECHEM AH CK 01135-(Hydroxymethyl)-2-thiouracil 98%2,3-Dihydro-5-(hydroxymethyl)-2-thioxo-4(1H)-pyrimidinone2,3-Dihydro-5-(hydroxymethyl)-2-thioxopyrimidin-4(1H)-one4(1H)-Pyrimidinone,2,3-dihydro-5-(hydroxymethyl)-2-thioxo-
5-(Hydroxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
93185-31-0- PubChem CID
- 2736582
- DTXSID
DTXSID90371458
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 7.49 · 7.49±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
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Compound notes
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