(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol

C10H7BrCl2OS2 — CID 107964308

IUPAC(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESCc1sc(Br)cc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7BrCl2OS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3,9,14H,1H3
InChIKeyOUHGQOPLYJLUJS-UHFFFAOYSA-N
MW358.11 g/mol
LogP5.27
Rot. Bonds2

About (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol

(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 107964308) has the molecular formula C10H7BrCl2OS2 and a molecular weight of 358.11 g/mol. Its IUPAC name is (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID107964308
Molecular FormulaC10H7BrCl2OS2
Molecular Weight358.11 g/mol
Exact Mass355.85
IUPAC Name(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESCc1sc(Br)cc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7BrCl2OS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3,9,14H,1H3
InChIKeyOUHGQOPLYJLUJS-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107961101
(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098892
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964287
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964177
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol (CID 107964308) is (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol is Cc1sc(Br)cc1C(O)c1cc(Cl)sc1Cl.
What is the InChIKey of (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is OUHGQOPLYJLUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2OS2/c1-4-5(2-7(11)15-4)9(14)6-3-8(12)16-10(6)13/h2-3,9,14H,1H3.
What are the key properties of (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol?
(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 358.11 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 107964308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).