2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene

C10H8Cl2S2 — CID 79808536

IUPAC2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene
SMILESCc1cscc1C(Cl)c1ccc(Cl)s1
InChIInChI=1S/C10H8Cl2S2/c1-6-4-13-5-7(6)10(12)8-2-3-9(11)14-8/h2-5,10H,1H3
InChIKeyLSLVROHKLZLTPK-UHFFFAOYSA-N
MW263.21 g/mol
LogP5.10
Rot. Bonds2

About 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene

2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene (PubChem CID 79808536) has the molecular formula C10H8Cl2S2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene
PubChem CID79808536
Molecular FormulaC10H8Cl2S2
Molecular Weight263.21 g/mol
Exact Mass261.94
IUPAC Name2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene
SMILESCc1cscc1C(Cl)c1ccc(Cl)s1
InChIInChI=1S/C10H8Cl2S2/c1-6-4-13-5-7(6)10(12)8-2-3-9(11)14-8/h2-5,10H,1H3
InChIKeyLSLVROHKLZLTPK-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.21
LogP ≤ 55.10
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

3-[chloro-(2,5-dichlorophenyl)methyl]-4-methylthiophene
CID 79807821
2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79754690
[2-(5-chlorothiophen-2-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251917
2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene
CID 63432103
4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole
CID 130690175
3-[chloro-(2,4-difluorophenyl)methyl]-4-methylthiophene
CID 79807495
(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine
CID 79802346
2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
CID 61084392
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
CID 79593812
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
3-[(4-benzylphenyl)-chloromethyl]-4-methylthiophene
CID 79809014
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene (CID 79808536) is 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene is Cc1cscc1C(Cl)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene?
The InChIKey is LSLVROHKLZLTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2S2/c1-6-4-13-5-7(6)10(12)8-2-3-9(11)14-8/h2-5,10H,1H3.
What are the key properties of 2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene?
2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene has a molecular weight of 263.21 g/mol, XLogP of 5.10, 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-(4-methylthiophen-3-yl)methyl]thiophene is sourced from PubChem (CID 79808536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).