N,N-bis(dihydroxyphosphinothioyl)methanamine

CH7NO4P2S2 — CID 87474756

IUPACN,N-bis(dihydroxyphosphinothioyl)methanamine
SMILESCN(P(O)(O)=S)P(O)(O)=S
InChIInChI=1S/CH7NO4P2S2/c1-2(7(3,4)9)8(5,6)10/h1H3,(H2,3,4,9)(H2,5,6,10)
InChIKeyCDYMMMVQEGQACE-UHFFFAOYSA-N
MW223.15 g/mol
LogP-0.66
Rot. Bonds2

About N,N-bis(dihydroxyphosphinothioyl)methanamine

N,N-bis(dihydroxyphosphinothioyl)methanamine (PubChem CID 87474756) has the molecular formula CH7NO4P2S2 and a molecular weight of 223.15 g/mol. Its IUPAC name is N,N-bis(dihydroxyphosphinothioyl)methanamine.

Molecular Properties

Compound NameN,N-bis(dihydroxyphosphinothioyl)methanamine
PubChem CID87474756
Molecular FormulaCH7NO4P2S2
Molecular Weight223.15 g/mol
Exact Mass222.93
IUPAC NameN,N-bis(dihydroxyphosphinothioyl)methanamine
SMILESCN(P(O)(O)=S)P(O)(O)=S
InChIInChI=1S/CH7NO4P2S2/c1-2(7(3,4)9)8(5,6)10/h1H3,(H2,3,4,9)(H2,5,6,10)
InChIKeyCDYMMMVQEGQACE-UHFFFAOYSA-N
XLogP-0.66
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(dihydroxyphosphinothioyl)methanamine?
The IUPAC name of N,N-bis(dihydroxyphosphinothioyl)methanamine (CID 87474756) is N,N-bis(dihydroxyphosphinothioyl)methanamine.
What is the SMILES notation for N,N-bis(dihydroxyphosphinothioyl)methanamine?
The canonical SMILES for N,N-bis(dihydroxyphosphinothioyl)methanamine is CN(P(O)(O)=S)P(O)(O)=S.
What is the InChIKey of N,N-bis(dihydroxyphosphinothioyl)methanamine?
The InChIKey is CDYMMMVQEGQACE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH7NO4P2S2/c1-2(7(3,4)9)8(5,6)10/h1H3,(H2,3,4,9)(H2,5,6,10).
What are the key properties of N,N-bis(dihydroxyphosphinothioyl)methanamine?
N,N-bis(dihydroxyphosphinothioyl)methanamine has a molecular weight of 223.15 g/mol, XLogP of -0.66, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(dihydroxyphosphinothioyl)methanamine is sourced from PubChem (CID 87474756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).