ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C9H31NO6P2S2 — CID 173415046

IUPACethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC.CCCCC.CNC.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C5H12.C2H7N.C2H6.2H3O3PS/c1-3-5-4-2;1-3-2;1-2;2*1-4(2,3)5/h3-5H2,1-2H3;3H,1-2H3;1-2H3;2*(H3,1,2,3,5)
InChIKeyZAMAKTBHJMLJPX-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.43
Rot. Bonds2

About ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173415046) has the molecular formula C9H31NO6P2S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Nameethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173415046
Molecular FormulaC9H31NO6P2S2
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Nameethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC.CCCCC.CNC.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C5H12.C2H7N.C2H6.2H3O3PS/c1-3-5-4-2;1-3-2;1-2;2*1-4(2,3)5/h3-5H2,1-2H3;3H,1-2H3;1-2H3;2*(H3,1,2,3,5)
InChIKeyZAMAKTBHJMLJPX-UHFFFAOYSA-N
XLogP1.43
TPSA133.41 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 51.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175487759
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
ethane;methanol;bis(pentane)
CID 142307969
bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175540063
N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173447150
tris(dodecan-1-amine);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175247763
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173415046) is ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CC.CCCCC.CNC.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is ZAMAKTBHJMLJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C2H7N.C2H6.2H3O3PS/c1-3-5-4-2;1-3-2;1-2;2*1-4(2,3)5/h3-5H2,1-2H3;3H,1-2H3;1-2H3;2*(H3,1,2,3,5).
What are the key properties of ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 375.43 g/mol, XLogP of 1.43, 2 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173415046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).