(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

C13H13ClOS2 — CID 105119690

IUPAC(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1ccc(Cl)s1)C1CCCc2sccc21
InChIInChI=1S/C13H13ClOS2/c14-12-5-4-11(17-12)13(15)9-2-1-3-10-8(9)6-7-16-10/h4-7,9,13,15H,1-3H2
InChIKeyQUAGSSDLUHYFHI-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.62
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (PubChem CID 105119690) has the molecular formula C13H13ClOS2 and a molecular weight of 284.83 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
PubChem CID105119690
Molecular FormulaC13H13ClOS2
Molecular Weight284.83 g/mol
Exact Mass284.01
IUPAC Name(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1ccc(Cl)s1)C1CCCc2sccc21
InChIInChI=1S/C13H13ClOS2/c14-12-5-4-11(17-12)13(15)9-2-1-3-10-8(9)6-7-16-10/h4-7,9,13,15H,1-3H2
InChIKeyQUAGSSDLUHYFHI-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 62720041
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)phenyl]methanol
CID 105093679
(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105078447
pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105079451
2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090371
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
(4-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105110803
(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105113661
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092328
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
CID 105086077
methyl 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]furan-2-carboxylate
CID 106947117

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (CID 105119690) is (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is OC(c1ccc(Cl)s1)C1CCCc2sccc21.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The InChIKey is QUAGSSDLUHYFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS2/c14-12-5-4-11(17-12)13(15)9-2-1-3-10-8(9)6-7-16-10/h4-7,9,13,15H,1-3H2.
What are the key properties of (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol has a molecular weight of 284.83 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 105119690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).