2-chloro-5-ethylsulfanylthiophene

C6H7ClS2 — CID 55269590

IUPAC2-chloro-5-ethylsulfanylthiophene
SMILESCCSc1ccc(Cl)s1
InChIInChI=1S/C6H7ClS2/c1-2-8-6-4-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeyIOOMYBUNNSVHGQ-UHFFFAOYSA-N
MW178.71 g/mol
LogP3.51
Rot. Bonds2

About 2-chloro-5-ethylsulfanylthiophene

2-chloro-5-ethylsulfanylthiophene (PubChem CID 55269590) has the molecular formula C6H7ClS2 and a molecular weight of 178.71 g/mol. Its IUPAC name is 2-chloro-5-ethylsulfanylthiophene.

Molecular Properties

Compound Name2-chloro-5-ethylsulfanylthiophene
PubChem CID55269590
Molecular FormulaC6H7ClS2
Molecular Weight178.71 g/mol
Exact Mass177.97
IUPAC Name2-chloro-5-ethylsulfanylthiophene
SMILESCCSc1ccc(Cl)s1
InChIInChI=1S/C6H7ClS2/c1-2-8-6-4-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeyIOOMYBUNNSVHGQ-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(ethyldisulfanyl)thiophene
CID 91117303
3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
CID 117032644
methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate
CID 117033998
S-(5-chlorothiophen-2-yl)thiohydroxylamine
CID 88928706
N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine
CID 117032952
2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol
CID 116852280
(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
CID 106848268
3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine
CID 117032666
methyl 2-(5-chlorothiophen-2-yl)sulfanylbutanoate
CID 117035553
3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine
CID 117033083
2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine
CID 117034439
ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate
CID 11715914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethylsulfanylthiophene?
The IUPAC name of 2-chloro-5-ethylsulfanylthiophene (CID 55269590) is 2-chloro-5-ethylsulfanylthiophene.
What is the SMILES notation for 2-chloro-5-ethylsulfanylthiophene?
The canonical SMILES for 2-chloro-5-ethylsulfanylthiophene is CCSc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-ethylsulfanylthiophene?
The InChIKey is IOOMYBUNNSVHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClS2/c1-2-8-6-4-3-5(7)9-6/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-5-ethylsulfanylthiophene?
2-chloro-5-ethylsulfanylthiophene has a molecular weight of 178.71 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethylsulfanylthiophene is sourced from PubChem (CID 55269590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).