ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen

C9H16N4OS — CID 142472719

IUPACethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen
SMILESCC.CCOc1ccsc1-c1nn[nH]n1.[H][H]
InChIInChI=1S/C7H8N4OS.C2H6.H2/c1-2-12-5-3-4-13-6(5)7-8-10-11-9-7;1-2;/h3-4H,2H2,1H3,(H,8,9,10,11);1-2H3;1H
InChIKeyOKNUUEFEFYFUGX-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.60
Rot. Bonds3

About ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen

ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen (PubChem CID 142472719) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen
PubChem CID142472719
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Nameethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen
SMILESCC.CCOc1ccsc1-c1nn[nH]n1.[H][H]
InChIInChI=1S/C7H8N4OS.C2H6.H2/c1-2-12-5-3-4-13-6(5)7-8-10-11-9-7;1-2;/h3-4H,2H2,1H3,(H,8,9,10,11);1-2H3;1H
InChIKeyOKNUUEFEFYFUGX-UHFFFAOYSA-N
XLogP2.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane
CID 142472775
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5-(2,6-dimethoxyphenyl)-2H-tetrazole
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5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
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1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole
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CID 145087204
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CID 143271209
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene
CID 139212118
N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 174420551
7-ethoxy-1-benzothiophene
CID 68789103
2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen
CID 142391683

Frequently Asked Questions

What is the IUPAC name of ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen?
The IUPAC name of ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen (CID 142472719) is ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen.
What is the SMILES notation for ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen?
The canonical SMILES for ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen is CC.CCOc1ccsc1-c1nn[nH]n1.[H][H].
What is the InChIKey of ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen?
The InChIKey is OKNUUEFEFYFUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS.C2H6.H2/c1-2-12-5-3-4-13-6(5)7-8-10-11-9-7;1-2;/h3-4H,2H2,1H3,(H,8,9,10,11);1-2H3;1H.
What are the key properties of ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen?
ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen has a molecular weight of 228.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen is sourced from PubChem (CID 142472719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).