(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

C4H8O3PS- — CID 23416384

IUPAC(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESC[C@H]1CCOP([O-])(=S)O1
InChIInChI=1S/C4H9O3PS/c1-4-2-3-6-8(5,9)7-4/h4H,2-3H2,1H3,(H,5,9)/p-1/t4-,8?/m0/s1
InChIKeyYALUCJAZUYVJAM-WSAWMEMJSA-M
MW167.15 g/mol
LogP0.40
Rot. Bonds

About (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 23416384) has the molecular formula C4H8O3PS- and a molecular weight of 167.15 g/mol. Its IUPAC name is (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID23416384
Molecular FormulaC4H8O3PS-
Molecular Weight167.15 g/mol
Exact Mass166.99
IUPAC Name(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESC[C@H]1CCOP([O-])(=S)O1
InChIInChI=1S/C4H9O3PS/c1-4-2-3-6-8(5,9)7-4/h4H,2-3H2,1H3,(H,5,9)/p-1/t4-,8?/m0/s1
InChIKeyYALUCJAZUYVJAM-WSAWMEMJSA-M
XLogP0.40
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.40
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

(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
[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite
CID 12654512
(2S,4S)-4-methyl-2-(trifluoromethylsulfanyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23416371
(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane
CID 11899665
4-[(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]oxetan-2-one
CID 20501260
4-[2-(diethylamino)-4-methyl-1,3,2λ5-dioxaphosphinan-2-ylidene]butan-2-one
CID 23263743
N-[furan-2-yl-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]-1,2,4-triazol-4-amine
CID 73135773
4-[(R)-(4-methylanilino)-[(2S,4R)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methyl]phenol
CID 28887382
ethane;4-methyl-1,3-dioxane
CID 91314442
5-methyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 15844207

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (CID 23416384) is (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is C[C@H]1CCOP([O-])(=S)O1.
What is the InChIKey of (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is YALUCJAZUYVJAM-WSAWMEMJSA-M. The full InChI is InChI=1S/C4H9O3PS/c1-4-2-3-6-8(5,9)7-4/h4H,2-3H2,1H3,(H,5,9)/p-1/t4-,8?/m0/s1.
What are the key properties of (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 167.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 23416384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).