zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane

C8H11O2PS2Zn — CID 141081758

IUPACzinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILESCC1C=CC=CC1(C)SP([O-])([O-])=S.[Zn+2]
InChIInChI=1S/C8H13O2PS2.Zn/c1-7-5-3-4-6-8(7,2)13-11(9,10)12;/h3-7H,1-2H3,(H2,9,10,12);/q;+2/p-2
InChIKeyUGMUNKYEZHCQKM-UHFFFAOYSA-L
MW299.67 g/mol
LogP1.18
Rot. Bonds2

About zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane

zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 141081758) has the molecular formula C8H11O2PS2Zn and a molecular weight of 299.67 g/mol. Its IUPAC name is zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namezinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
PubChem CID141081758
Molecular FormulaC8H11O2PS2Zn
Molecular Weight299.67 g/mol
Exact Mass297.92
IUPAC Namezinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILESCC1C=CC=CC1(C)SP([O-])([O-])=S.[Zn+2]
InChIInChI=1S/C8H13O2PS2.Zn/c1-7-5-3-4-6-8(7,2)13-11(9,10)12;/h3-7H,1-2H3,(H2,9,10,12);/q;+2/p-2
InChIKeyUGMUNKYEZHCQKM-UHFFFAOYSA-L
XLogP1.18
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.67
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 141141591
(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 140980510
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
5-(diisocyanomethyl)-5,6-dimethylcyclohexa-1,3-diene
CID 141319549
calcium;bis(1,6-dimethylcyclohexa-2,4-diene-1-sulfonate);hydrate
CID 140991949
5-(chloromethyl)-5,6-dimethylcyclohexa-1,3-diene
CID 141115127
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 150816987
1,6-dimethylcyclohexa-2,4-diene-1-sulfonate;tetramethylazanium
CID 155713195
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene
CID 141143563
(1R,6S)-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 124527543
chloro-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanamine
CID 67656494

Frequently Asked Questions

What is the IUPAC name of zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane (CID 141081758) is zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane is CC1C=CC=CC1(C)SP([O-])([O-])=S.[Zn+2].
What is the InChIKey of zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is UGMUNKYEZHCQKM-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H13O2PS2.Zn/c1-7-5-3-4-6-8(7,2)13-11(9,10)12;/h3-7H,1-2H3,(H2,9,10,12);/q;+2/p-2.
What are the key properties of zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 299.67 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 141081758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).