2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene

C8H9ClOS3 — CID 86628502

IUPAC2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene
SMILESCSC(=Cc1ccc(Cl)s1)S(C)=O
InChIInChI=1S/C8H9ClOS3/c1-11-8(13(2)10)5-6-3-4-7(9)12-6/h3-5H,1-2H3
InChIKeyHBOCTTSYLSZCAV-UHFFFAOYSA-N
MW252.81 g/mol
LogP3.44
Rot. Bonds3

About 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene

2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene (PubChem CID 86628502) has the molecular formula C8H9ClOS3 and a molecular weight of 252.81 g/mol. Its IUPAC name is 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene
PubChem CID86628502
Molecular FormulaC8H9ClOS3
Molecular Weight252.81 g/mol
Exact Mass251.95
IUPAC Name2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene
SMILESCSC(=Cc1ccc(Cl)s1)S(C)=O
InChIInChI=1S/C8H9ClOS3/c1-11-8(13(2)10)5-6-3-4-7(9)12-6/h3-5H,1-2H3
InChIKeyHBOCTTSYLSZCAV-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene
CID 19600112
2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene
CID 79322929
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
methyl 4-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzoate
CID 10015977
(Z)-3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954957
2-[(5-chlorothiophen-2-yl)methylidene]-N,N'-diphenylpropanediamide
CID 51111967
2-chloro-4-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]-1-prop-2-enoxybenzene
CID 173458147
methyl 2-acetamido-3-(5-chlorothiophen-2-yl)prop-2-enoate
CID 131851535
2-(5-chlorothiophen-2-yl)ethenesulfonic acid
CID 54555369
butyl 1-(5-chlorothiophen-2-yl)prop-1-ene-2-sulfonate
CID 71424726
(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 92532745
methyl N-[(5-chlorothiophen-2-yl)methylideneamino]carbamate
CID 3254663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene?
The IUPAC name of 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene (CID 86628502) is 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene.
What is the SMILES notation for 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene?
The canonical SMILES for 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene is CSC(=Cc1ccc(Cl)s1)S(C)=O.
What is the InChIKey of 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene?
The InChIKey is HBOCTTSYLSZCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS3/c1-11-8(13(2)10)5-6-3-4-7(9)12-6/h3-5H,1-2H3.
What are the key properties of 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene?
2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene has a molecular weight of 252.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene is sourced from PubChem (CID 86628502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).