butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene

C14H26S — CID 144580255

IUPACbutane;ethane;4,5,6,7-tetrahydro-1-benzothiophene
SMILESCC.CCCC.c1cc2c(s1)CCCC2
InChIInChI=1S/C8H10S.C4H10.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-3-4-2;1-2/h5-6H,1-4H2;3-4H2,1-2H3;1-2H3
InChIKeyNLTNRUPLQRDASK-UHFFFAOYSA-N
MW226.43 g/mol
LogP5.46
Rot. Bonds1

About butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene

butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene (PubChem CID 144580255) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene.

Molecular Properties

Compound Namebutane;ethane;4,5,6,7-tetrahydro-1-benzothiophene
PubChem CID144580255
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Namebutane;ethane;4,5,6,7-tetrahydro-1-benzothiophene
SMILESCC.CCCC.c1cc2c(s1)CCCC2
InChIInChI=1S/C8H10S.C4H10.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-3-4-2;1-2/h5-6H,1-4H2;3-4H2,1-2H3;1-2H3
InChIKeyNLTNRUPLQRDASK-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 167664571
(7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene
CID 118485440
5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine
CID 177018356
5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 65005365
formaldehyde;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 143247723
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 60774931
N-[[(9S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-9-yl]methyl]ethanamine
CID 129016242
6,7-dihydro-4H-thieno[3,2-c]pyran;2-propylthiophene
CID 159034398
5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 131043045
4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
CID 176926906
N-[2-oxo-2-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)ethyl]ethanesulfonamide
CID 100664562
ethane;4,5,6,7-tetrahydro-2-benzothiophene
CID 142139297

Frequently Asked Questions

What is the IUPAC name of butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene?
The IUPAC name of butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene (CID 144580255) is butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene.
What is the SMILES notation for butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene?
The canonical SMILES for butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene is CC.CCCC.c1cc2c(s1)CCCC2.
What is the InChIKey of butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene?
The InChIKey is NLTNRUPLQRDASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.C4H10.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-3-4-2;1-2/h5-6H,1-4H2;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene?
butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene has a molecular weight of 226.43 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene is sourced from PubChem (CID 144580255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).