bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane

C14H23N2PS4+2 — CID 132942760

IUPACbis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCC[n+]1c(P(=S)(S)c2sc(C)c(C)[n+]2CC)sc(C)c1C
InChIInChI=1S/C14H22N2PS4/c1-7-15-9(3)11(5)20-13(15)17(18,19)14-16(8-2)10(4)12(6)21-14/h7-8H2,1-6H3/q+1/p+1
InChIKeyPQANMSOZXHNGKV-UHFFFAOYSA-O
MW378.59 g/mol
LogP2.93
Rot. Bonds4

About bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane

bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 132942760) has the molecular formula C14H23N2PS4+2 and a molecular weight of 378.59 g/mol. Its IUPAC name is bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID132942760
Molecular FormulaC14H23N2PS4+2
Molecular Weight378.59 g/mol
Exact Mass378.05
IUPAC Namebis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCC[n+]1c(P(=S)(S)c2sc(C)c(C)[n+]2CC)sc(C)c1C
InChIInChI=1S/C14H22N2PS4/c1-7-15-9(3)11(5)20-13(15)17(18,19)14-16(8-2)10(4)12(6)21-14/h7-8H2,1-6H3/q+1/p+1
InChIKeyPQANMSOZXHNGKV-UHFFFAOYSA-O
XLogP2.93
TPSA7.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium
CID 162291945
3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium
CID 947996
2-ethyl-4,5-dimethyl-3-oxido-1,3-thiazol-3-ium
CID 45121760
3-ethyl-2-[3-(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole
CID 72652237
2,3,4,5-tetramethyl-1,3-thiazol-3-ium
CID 10562842
3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride
CID 160819911
(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(1-ethyl-2-phenylindol-3-yl)diazene
CID 68837531
(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(1-ethyl-2-phenylindol-3-yl)diazene bromide
CID 68837530
2,4,5-trimethyl-3-oxido-1,3-thiazol-3-ium
CID 45121679
1-ethyl-2-methylthieno[3,2-d][1,3]thiazol-1-ium
CID 13216386
3-ethyl-1,3-benzothiazol-3-ium-2-thiol
CID 20589270
3-[(2,4-difluorophenyl)methyl]-2,4,5-trimethyl-1,3-thiazol-3-ium
CID 69187648

Frequently Asked Questions

What is the IUPAC name of bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane (CID 132942760) is bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane is CC[n+]1c(P(=S)(S)c2sc(C)c(C)[n+]2CC)sc(C)c1C.
What is the InChIKey of bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is PQANMSOZXHNGKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2PS4/c1-7-15-9(3)11(5)20-13(15)17(18,19)14-16(8-2)10(4)12(6)21-14/h7-8H2,1-6H3/q+1/p+1.
What are the key properties of bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane?
bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 378.59 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 132942760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).