Basic information
- CAS
48126-31-4- Standard SMILES
N=C(N)Sc1c[nH]c(=O)[nH]c1=O- InChIKey
XCLSLHVONHVDGT-UHFFFAOYSA-N- Molecular formula
- C5H6N4O2S
- Average molar mass
- 186.19 g/mol
- Monoisotopic mass
- 186.02114662
Names & identifiers
- Preferred name
- Uracil, 5-amidinothio-
- IUPAC
- (2,4-dioxo-1H-pyrimidin-5-yl) carbamimidothioate
- English name
- 5-(Amidinothio)uracil
- Molecular formula
- C5H6N4O2S
- Molecular weight
- 186.19
Names & synonyms
Uracil, 5-amidinothio-48126-31-4RefChem:11006612,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl carbamimidothioate5-AmidinothiouracilBRN 01837885-Amidinothio-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 5-amidinothio-NCIOpen2_003970SCHEMBL294471512-(2,4-dioxo-1H-pyrimidin-5-yl)isothiourea2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-ylcarbamimidothioate
Show more names
5-(Amidinothio)uracilCarbamimidothioic acid, 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl ester
Pseudourea, 2-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-2-thio-
Database identifiers
- CAS
48126-31-4- PubChem CID
- 206296
- Nikkaji
- J96.603G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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