6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

C4H8N5O2PS2 — CID 88786332

IUPAC6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSP(O)(O)=S)n1
InChIInChI=1S/C4H8N5O2PS2/c5-3-7-2(8-4(6)9-3)1-14-12(10,11)13/h1H2,(H2,10,11,13)(H4,5,6,7,8,9)
InChIKeyLBGBYQAKAMFMHA-UHFFFAOYSA-N
MW253.25 g/mol
LogP-0.52
Rot. Bonds3

About 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 88786332) has the molecular formula C4H8N5O2PS2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID88786332
Molecular FormulaC4H8N5O2PS2
Molecular Weight253.25 g/mol
Exact Mass252.99
IUPAC Name6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSP(O)(O)=S)n1
InChIInChI=1S/C4H8N5O2PS2/c5-3-7-2(8-4(6)9-3)1-14-12(10,11)13/h1H2,(H2,10,11,13)(H4,5,6,7,8,9)
InChIKeyLBGBYQAKAMFMHA-UHFFFAOYSA-N
XLogP-0.52
TPSA131.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 88786332) is 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CSP(O)(O)=S)n1.
What is the InChIKey of 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LBGBYQAKAMFMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N5O2PS2/c5-3-7-2(8-4(6)9-3)1-14-12(10,11)13/h1H2,(H2,10,11,13)(H4,5,6,7,8,9).
What are the key properties of 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.25 g/mol, XLogP of -0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 88786332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).