2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene

C9H6Cl2S2 — CID 61084392

IUPAC2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
SMILESClc1ccc(C(Cl)c2cccs2)s1
InChIInChI=1S/C9H6Cl2S2/c10-8-4-3-7(13-8)9(11)6-2-1-5-12-6/h1-5,9H
InChIKeyBTIPNXRQEHNXOD-UHFFFAOYSA-N
MW249.19 g/mol
LogP4.79
Rot. Bonds2

About 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene

2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene (PubChem CID 61084392) has the molecular formula C9H6Cl2S2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
PubChem CID61084392
Molecular FormulaC9H6Cl2S2
Molecular Weight249.19 g/mol
Exact Mass247.93
IUPAC Name2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
SMILESClc1ccc(C(Cl)c2cccs2)s1
InChIInChI=1S/C9H6Cl2S2/c10-8-4-3-7(13-8)9(11)6-2-1-5-12-6/h1-5,9H
InChIKeyBTIPNXRQEHNXOD-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 43234424
(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 93029791
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 92754745
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343
4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
CID 43790408
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene (CID 61084392) is 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene is Clc1ccc(C(Cl)c2cccs2)s1.
What is the InChIKey of 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene?
The InChIKey is BTIPNXRQEHNXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2S2/c10-8-4-3-7(13-8)9(11)6-2-1-5-12-6/h1-5,9H.
What are the key properties of 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene?
2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene has a molecular weight of 249.19 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 61084392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).