2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide

C6H14NO3PS2 — CID 118996707

IUPAC2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide
SMILESCOP(=S)(OC)SCC(=O)N(C)C
InChIInChI=1S/C6H14NO3PS2/c1-7(2)6(8)5-13-11(12,9-3)10-4/h5H2,1-4H3
InChIKeyVHTIGCLVQVVTJC-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.33
Rot. Bonds5

About 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide

2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide (PubChem CID 118996707) has the molecular formula C6H14NO3PS2 and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide
PubChem CID118996707
Molecular FormulaC6H14NO3PS2
Molecular Weight243.29 g/mol
Exact Mass243.02
IUPAC Name2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide
SMILESCOP(=S)(OC)SCC(=O)N(C)C
InChIInChI=1S/C6H14NO3PS2/c1-7(2)6(8)5-13-11(12,9-3)10-4/h5H2,1-4H3
InChIKeyVHTIGCLVQVVTJC-UHFFFAOYSA-N
XLogP1.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide
CID 87565418
2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide
CID 171381691
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;hydrate
CID 121304179
S-diethoxyphosphinothioyl N,N-dimethylcarbamothioate
CID 117059462
ethyl N-[2-[bis(1,1,2,2,2-pentadeuterioethoxy)phosphinothioylsulfanyl]acetyl]-N-methylcarbamate
CID 129318199
ethyl 2-diethoxyphosphinothioylsulfanylacetate
CID 13524
methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
CID 101152507
2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide
CID 24704933
3-methoxy-N,N-dimethylpropanamide
CID 159478663
methyl 3-dimethoxyphosphinothioylsulfanylbutanoate
CID 123905574
2-dimethoxyphosphinothioylsulfanylpropanamide
CID 57352711
ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]-methylamino]-3-methylbutanoate
CID 23263814

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide (CID 118996707) is 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide is COP(=S)(OC)SCC(=O)N(C)C.
What is the InChIKey of 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide?
The InChIKey is VHTIGCLVQVVTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3PS2/c1-7(2)6(8)5-13-11(12,9-3)10-4/h5H2,1-4H3.
What are the key properties of 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide?
2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide has a molecular weight of 243.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 118996707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).