2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene

C16H13ClOS2 — CID 75414313

IUPAC2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene
SMILESO=S(Cc1ccc(Cl)s1)Cc1cccc2ccccc12
InChIInChI=1S/C16H13ClOS2/c17-16-9-8-14(19-16)11-20(18)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9H,10-11H2
InChIKeyDILLEHANCDQBHU-UHFFFAOYSA-N
MW320.87 g/mol
LogP5.00
Rot. Bonds4

About 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene

2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene (PubChem CID 75414313) has the molecular formula C16H13ClOS2 and a molecular weight of 320.87 g/mol. Its IUPAC name is 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene
PubChem CID75414313
Molecular FormulaC16H13ClOS2
Molecular Weight320.87 g/mol
Exact Mass320.01
IUPAC Name2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene
SMILESO=S(Cc1ccc(Cl)s1)Cc1cccc2ccccc12
InChIInChI=1S/C16H13ClOS2/c17-16-9-8-14(19-16)11-20(18)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9H,10-11H2
InChIKeyDILLEHANCDQBHU-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.87
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene?
The IUPAC name of 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene (CID 75414313) is 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene.
What is the SMILES notation for 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene?
The canonical SMILES for 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene is O=S(Cc1ccc(Cl)s1)Cc1cccc2ccccc12.
What is the InChIKey of 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene?
The InChIKey is DILLEHANCDQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClOS2/c17-16-9-8-14(19-16)11-20(18)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9H,10-11H2.
What are the key properties of 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene?
2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene has a molecular weight of 320.87 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene is sourced from PubChem (CID 75414313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).