1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)
Basic information
- CAS
7447-44-1- Standard SMILES
CC(C)(N)CSP(=O)(O)O- InChIKey
XIRIZZCWCUUYLK-UHFFFAOYSA-N- Molecular formula
- C4H12NO3PS
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.02755142
Names & identifiers
- Preferred name
- 1-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)
- IUPAC
- (2-amino-2-methylpropyl)sulfanylphosphonic acid
- English name
- Thiophosphoric acid dihydrogen S-(2-amino-2-methylpropyl) ester
- Molecular weight
- 0
Names & synonyms
7447-44-1Phosphorothioic acid, S-(2-amino-2-methylpropyl) esterDTXSID00225478RefChem:1056890DTXCID001479691-Propanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)BRN 2244004S-(2-Amino-2-methylpropyl)phosphorothioates-(2-amino-2-methylpropyl) dihydrogen phosphorothioatePropanethiol, 2-amino-2-methyl-, dihydrogen phosphate (ester)Thiophosphoric acid dihydrogen S-(2-amino-2-methylpropyl) ester
Database identifiers
- CAS
7447-44-1- PubChem CID
- 81950
- DTXSID
DTXSID00225478- Nikkaji
- J50.451C
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
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Related reactions
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Compound notes
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