5-(5-butylthiophen-2-yl)-2H-tetrazole

C9H12N4S — CID 57101676

IUPAC5-(5-butylthiophen-2-yl)-2H-tetrazole
SMILESCCCCc1ccc(-c2nn[nH]n2)s1
InChIInChI=1S/C9H12N4S/c1-2-3-4-7-5-6-8(14-7)9-10-12-13-11-9/h5-6H,2-4H2,1H3,(H,10,11,12,13)
InChIKeyXHPHPGQKMXDASL-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.27
Rot. Bonds4

About 5-(5-butylthiophen-2-yl)-2H-tetrazole

5-(5-butylthiophen-2-yl)-2H-tetrazole (PubChem CID 57101676) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(5-butylthiophen-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-butylthiophen-2-yl)-2H-tetrazole
PubChem CID57101676
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name5-(5-butylthiophen-2-yl)-2H-tetrazole
SMILESCCCCc1ccc(-c2nn[nH]n2)s1
InChIInChI=1S/C9H12N4S/c1-2-3-4-7-5-6-8(14-7)9-10-12-13-11-9/h5-6H,2-4H2,1H3,(H,10,11,12,13)
InChIKeyXHPHPGQKMXDASL-UHFFFAOYSA-N
XLogP2.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone
CID 55256002
4-[5-(2H-tetrazol-5-yl)thiophen-2-yl]pyridine
CID 66857019
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
2,5-diheptylthiophene
CID 607114
4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
CID 118281567
(1R,2R,3R,4R)-4-chloro-2-[2-(3,5-difluorophenyl)ethenyl]-3-[3-[5-(2H-tetrazol-5-yl)thiophen-2-yl]propyl]cyclopentan-1-ol
CID 123747720
tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
CID 140799576
2,5-bis[5-[2-(5-butylthiophen-2-yl)ethynyl]thiophen-2-yl]thiophene
CID 58825507

Frequently Asked Questions

What is the IUPAC name of 5-(5-butylthiophen-2-yl)-2H-tetrazole?
The IUPAC name of 5-(5-butylthiophen-2-yl)-2H-tetrazole (CID 57101676) is 5-(5-butylthiophen-2-yl)-2H-tetrazole.
What is the SMILES notation for 5-(5-butylthiophen-2-yl)-2H-tetrazole?
The canonical SMILES for 5-(5-butylthiophen-2-yl)-2H-tetrazole is CCCCc1ccc(-c2nn[nH]n2)s1.
What is the InChIKey of 5-(5-butylthiophen-2-yl)-2H-tetrazole?
The InChIKey is XHPHPGQKMXDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-2-3-4-7-5-6-8(14-7)9-10-12-13-11-9/h5-6H,2-4H2,1H3,(H,10,11,12,13).
What are the key properties of 5-(5-butylthiophen-2-yl)-2H-tetrazole?
5-(5-butylthiophen-2-yl)-2H-tetrazole has a molecular weight of 208.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butylthiophen-2-yl)-2H-tetrazole is sourced from PubChem (CID 57101676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).