[amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene

C7H10NOPS2 — CID 68500660

IUPAC[amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene
SMILESNP(O)(=S)SCc1ccccc1
InChIInChI=1S/C7H10NOPS2/c8-10(9,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,8,9,11)
InChIKeySQZOPTFKURTTBJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.10
Rot. Bonds3

About [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene

[amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene (PubChem CID 68500660) has the molecular formula C7H10NOPS2 and a molecular weight of 219.27 g/mol. Its IUPAC name is [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene.

Molecular Properties

Compound Name[amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene
PubChem CID68500660
Molecular FormulaC7H10NOPS2
Molecular Weight219.27 g/mol
Exact Mass218.99
IUPAC Name[amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene
SMILESNP(O)(=S)SCc1ccccc1
InChIInChI=1S/C7H10NOPS2/c8-10(9,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,8,9,11)
InChIKeySQZOPTFKURTTBJ-UHFFFAOYSA-N
XLogP2.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane
CID 6453024
benzylsulfanyl(hydroxy)phosphinate
CID 140570730
trizinc;(benzyldisulfanyl)methylbenzene;dithiophosphate
CID 175857354
(benzyldisulfanyl)methylbenzene;carbamic acid
CID 159723781
S-benzylthiohydroxylamine
CID 14664407
potassium benzylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 70633644
(benzyltetrasulfanyl)methylbenzene;ethane
CID 143979084
ethane;hydroxysulfanylmethylbenzene
CID 143821204
O-benzyl benzylsulfanylmethanethioate
CID 12651692
(nitrodisulfanyl)methylbenzene
CID 175313203
benzyl thiohypochlorite
CID 11332618
hydroperoxysulfanylmethylbenzene
CID 12561082

Frequently Asked Questions

What is the IUPAC name of [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene?
The IUPAC name of [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene (CID 68500660) is [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene.
What is the SMILES notation for [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene?
The canonical SMILES for [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene is NP(O)(=S)SCc1ccccc1.
What is the InChIKey of [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene?
The InChIKey is SQZOPTFKURTTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NOPS2/c8-10(9,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,8,9,11).
What are the key properties of [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene?
[amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene has a molecular weight of 219.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene is sourced from PubChem (CID 68500660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).