[5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol

C12H11ClOS2 — CID 107365409

IUPAC[5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol
SMILESOCc1ccc(SCc2ccccc2Cl)s1
InChIInChI=1S/C12H11ClOS2/c13-11-4-2-1-3-9(11)8-15-12-6-5-10(7-14)16-12/h1-6,14H,7-8H2
InChIKeyBEXCBYWIVHOAPV-UHFFFAOYSA-N
MW270.81 g/mol
LogP4.19
Rot. Bonds4

About [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol

[5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol (PubChem CID 107365409) has the molecular formula C12H11ClOS2 and a molecular weight of 270.81 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol
PubChem CID107365409
Molecular FormulaC12H11ClOS2
Molecular Weight270.81 g/mol
Exact Mass269.99
IUPAC Name[5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol
SMILESOCc1ccc(SCc2ccccc2Cl)s1
InChIInChI=1S/C12H11ClOS2/c13-11-4-2-1-3-9(11)8-15-12-6-5-10(7-14)16-12/h1-6,14H,7-8H2
InChIKeyBEXCBYWIVHOAPV-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde
CID 103290693
[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]methanol
CID 103290841
[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol
CID 103290812
2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
CID 19205052
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 17435424
2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium
CID 3788264
(2-chlorophenyl)-dideuteriomethanol
CID 142596700
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
3-chloro-4-[(2-chlorophenyl)methylsulfanyl]benzoic acid
CID 103290020
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol?
The IUPAC name of [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol (CID 107365409) is [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol is OCc1ccc(SCc2ccccc2Cl)s1.
What is the InChIKey of [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol?
The InChIKey is BEXCBYWIVHOAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClOS2/c13-11-4-2-1-3-9(11)8-15-12-6-5-10(7-14)16-12/h1-6,14H,7-8H2.
What are the key properties of [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol?
[5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol has a molecular weight of 270.81 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)methylsulfanyl]thiophen-2-yl]methanol is sourced from PubChem (CID 107365409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).