ethyl di(propan-2-yloxy)phosphorylmethanedithioate

C9H19O3PS2 — CID 11777924

IUPACethyl di(propan-2-yloxy)phosphorylmethanedithioate
SMILESCCSC(=S)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O3PS2/c1-6-15-9(14)13(10,11-7(2)3)12-8(4)5/h7-8H,6H2,1-5H3
InChIKeyMIARGHFBNDSEEP-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.07
Rot. Bonds6

About ethyl di(propan-2-yloxy)phosphorylmethanedithioate

ethyl di(propan-2-yloxy)phosphorylmethanedithioate (PubChem CID 11777924) has the molecular formula C9H19O3PS2 and a molecular weight of 270.36 g/mol. Its IUPAC name is ethyl di(propan-2-yloxy)phosphorylmethanedithioate.

Molecular Properties

Compound Nameethyl di(propan-2-yloxy)phosphorylmethanedithioate
PubChem CID11777924
Molecular FormulaC9H19O3PS2
Molecular Weight270.36 g/mol
Exact Mass270.05
IUPAC Nameethyl di(propan-2-yloxy)phosphorylmethanedithioate
SMILESCCSC(=S)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O3PS2/c1-6-15-9(14)13(10,11-7(2)3)12-8(4)5/h7-8H,6H2,1-5H3
InChIKeyMIARGHFBNDSEEP-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 12064358
(E)-1-di(propan-2-yloxy)phosphorylpent-2-en-1-one
CID 125476499
1-di(propan-2-yloxy)phosphorylbutan-1-one
CID 15685101
1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
CID 4204254
1-di(propan-2-yloxy)phosphorylbut-1-ene
CID 176894704
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
CID 125475807
propan-2-yl ethylsulfanylformate
CID 130241009
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-[di(propan-2-yloxy)phosphorylcarbothioylamino]propanoic acid
CID 10968492
2-[[[[di(propan-2-yloxy)phosphoryl-ethylsulfanylmethyl]disulfanyl]-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10325067
S-ethyl dimethoxyphosphorylmethanethioate
CID 14937900
(NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
CID 14755443

Frequently Asked Questions

What is the IUPAC name of ethyl di(propan-2-yloxy)phosphorylmethanedithioate?
The IUPAC name of ethyl di(propan-2-yloxy)phosphorylmethanedithioate (CID 11777924) is ethyl di(propan-2-yloxy)phosphorylmethanedithioate.
What is the SMILES notation for ethyl di(propan-2-yloxy)phosphorylmethanedithioate?
The canonical SMILES for ethyl di(propan-2-yloxy)phosphorylmethanedithioate is CCSC(=S)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of ethyl di(propan-2-yloxy)phosphorylmethanedithioate?
The InChIKey is MIARGHFBNDSEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3PS2/c1-6-15-9(14)13(10,11-7(2)3)12-8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of ethyl di(propan-2-yloxy)phosphorylmethanedithioate?
ethyl di(propan-2-yloxy)phosphorylmethanedithioate has a molecular weight of 270.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl di(propan-2-yloxy)phosphorylmethanedithioate is sourced from PubChem (CID 11777924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).