2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene

C10H6N2O5S2 — CID 163423371

IUPAC2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene
SMILESO=[N+]([O-])c1ccc([S@](=O)c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H6N2O5S2/c13-11(14)7-3-4-9(8(6-7)12(15)16)19(17)10-2-1-5-18-10/h1-6H/t19-/m0/s1
InChIKeyAKJYAYBWCPRVGD-IBGZPJMESA-N
MW298.30 g/mol
LogP2.73
Rot. Bonds4

About 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene

2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene (PubChem CID 163423371) has the molecular formula C10H6N2O5S2 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene.

Molecular Properties

Compound Name2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene
PubChem CID163423371
Molecular FormulaC10H6N2O5S2
Molecular Weight298.30 g/mol
Exact Mass297.97
IUPAC Name2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene
SMILESO=[N+]([O-])c1ccc([S@](=O)c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H6N2O5S2/c13-11(14)7-3-4-9(8(6-7)12(15)16)19(17)10-2-1-5-18-10/h1-6H/t19-/m0/s1
InChIKeyAKJYAYBWCPRVGD-IBGZPJMESA-N
XLogP2.73
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dinitro-1-(3-nitrophenyl)sulfinylbenzene
CID 154146462
(2,4-dinitrophenyl) thiophene-2-sulfonate
CID 13159815
2,4-dinitro-1-pentylsulfinylbenzene
CID 154197608
(2,4-dinitrophenyl)methanesulfinyl chloride
CID 141082202
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
2-(2-methyl-5-nitrophenyl)thiophene
CID 57000344
2-(4-nitrophenyl)thiophene
CID 609512
4-(2,4-dinitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363496
1-[(E)-3-methylhex-4-en-2-yl]-2,4-dinitrobenzene
CID 101449692
2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
azane;2,4-dinitrophenol;hydrate
CID 174664401

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene?
The IUPAC name of 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene (CID 163423371) is 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene.
What is the SMILES notation for 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene?
The canonical SMILES for 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene is O=[N+]([O-])c1ccc([S@](=O)c2cccs2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene?
The InChIKey is AKJYAYBWCPRVGD-IBGZPJMESA-N. The full InChI is InChI=1S/C10H6N2O5S2/c13-11(14)7-3-4-9(8(6-7)12(15)16)19(17)10-2-1-5-18-10/h1-6H/t19-/m0/s1.
What are the key properties of 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene?
2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene has a molecular weight of 298.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2,4-dinitrophenyl)sulfinyl]thiophene is sourced from PubChem (CID 163423371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).