(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol

C13H13ClOS2 — CID 106848268

IUPAC(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
SMILESCCSc1ccc(C(O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C13H13ClOS2/c1-2-16-10-5-3-9(4-6-10)13(15)11-7-8-12(14)17-11/h3-8,13,15H,2H2,1H3
InChIKeyNCQRAIJVASQQTO-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.60
Rot. Bonds4

About (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol

(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol (PubChem CID 106848268) has the molecular formula C13H13ClOS2 and a molecular weight of 284.83 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
PubChem CID106848268
Molecular FormulaC13H13ClOS2
Molecular Weight284.83 g/mol
Exact Mass284.01
IUPAC Name(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
SMILESCCSc1ccc(C(O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C13H13ClOS2/c1-2-16-10-5-3-9(4-6-10)13(15)11-7-8-12(14)17-11/h3-8,13,15H,2H2,1H3
InChIKeyNCQRAIJVASQQTO-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121
(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848301
(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 104661241
(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol
CID 97293006
(5-chlorothiophen-2-yl)-(5-chlorothiophen-3-yl)methanol
CID 130608755
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
(5-chlorothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
CID 114938025
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848139
(5-chlorothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691647
1-chloro-4-ethylsulfanylbenzene
CID 5324154
(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol
CID 97292959
(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine
CID 79214254

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol (CID 106848268) is (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol is CCSc1ccc(C(O)c2ccc(Cl)s2)cc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol?
The InChIKey is NCQRAIJVASQQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS2/c1-2-16-10-5-3-9(4-6-10)13(15)11-7-8-12(14)17-11/h3-8,13,15H,2H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol?
(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol has a molecular weight of 284.83 g/mol, XLogP of 4.60, 4 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-ethylsulfanylphenyl)methanol is sourced from PubChem (CID 106848268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).