[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite

C4H8ClO3PS — CID 12654512

IUPAC[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite
SMILESC[C@H]1CCO[P@@](=O)(SCl)O1
InChIInChI=1S/C4H8ClO3PS/c1-4-2-3-7-9(6,8-4)10-5/h4H,2-3H2,1H3/t4-,9+/m0/s1
InChIKeyAUFOFOJZJGEHMW-AJAUBTJJSA-N
MW202.60 g/mol
LogP2.81
Rot. Bonds1

About [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite

[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite (PubChem CID 12654512) has the molecular formula C4H8ClO3PS and a molecular weight of 202.60 g/mol. Its IUPAC name is [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite.

Molecular Properties

Compound Name[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite
PubChem CID12654512
Molecular FormulaC4H8ClO3PS
Molecular Weight202.60 g/mol
Exact Mass201.96
IUPAC Name[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite
SMILESC[C@H]1CCO[P@@](=O)(SCl)O1
InChIInChI=1S/C4H8ClO3PS/c1-4-2-3-7-9(6,8-4)10-5/h4H,2-3H2,1H3/t4-,9+/m0/s1
InChIKeyAUFOFOJZJGEHMW-AJAUBTJJSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-methyl-2-(trifluoromethylsulfanyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23416371
(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23419061
4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 13204288
2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 58422993
(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 23416384
(1R,9S)-11-[2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]ethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 10500484
4-[(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]oxetan-2-one
CID 20501260
4-[(R)-(4-chloroanilino)-[(2R,4R)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methyl]phenol
CID 26722672
N-[(R)-(4-bromophenyl)-[(2S,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methyl]-3,5-dichloroaniline
CID 40640755
4-[2-(diethylamino)-4-methyl-1,3,2λ5-dioxaphosphinan-2-ylidene]butan-2-one
CID 23263743
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587
4-[(R)-(4-methylanilino)-[(2S,4R)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methyl]phenol
CID 28887382

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite?
The IUPAC name of [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite (CID 12654512) is [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite.
What is the SMILES notation for [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite?
The canonical SMILES for [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite is C[C@H]1CCO[P@@](=O)(SCl)O1.
What is the InChIKey of [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite?
The InChIKey is AUFOFOJZJGEHMW-AJAUBTJJSA-N. The full InChI is InChI=1S/C4H8ClO3PS/c1-4-2-3-7-9(6,8-4)10-5/h4H,2-3H2,1H3/t4-,9+/m0/s1.
What are the key properties of [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite?
[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite has a molecular weight of 202.60 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite is sourced from PubChem (CID 12654512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).