ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate

C10H13ClO2S2 — CID 11715914

IUPACethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Sc1ccc(Cl)s1
InChIInChI=1S/C10H13ClO2S2/c1-4-13-9(12)10(2,3)15-8-6-5-7(11)14-8/h5-6H,4H2,1-3H3
InChIKeySVIHAQOXRCWSMG-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.84
Rot. Bonds4

About ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate

ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate (PubChem CID 11715914) has the molecular formula C10H13ClO2S2 and a molecular weight of 264.80 g/mol. Its IUPAC name is ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate
PubChem CID11715914
Molecular FormulaC10H13ClO2S2
Molecular Weight264.80 g/mol
Exact Mass264.00
IUPAC Nameethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Sc1ccc(Cl)s1
InChIInChI=1S/C10H13ClO2S2/c1-4-13-9(12)10(2,3)15-8-6-5-7(11)14-8/h5-6H,4H2,1-3H3
InChIKeySVIHAQOXRCWSMG-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol
CID 116852280
ethyl 2-methyl-2-(2-methylphenyl)sulfanylpropanoate;dihydrate
CID 143618447
ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate
CID 3055451
methyl 2-(5-chlorothiophen-2-yl)sulfanylbutanoate
CID 117035553
ethyl 2-methyl-2-(1H-pyrrol-3-ylsulfanyl)propanoate
CID 116853901
ethyl 2-[[2-[(6-chloro-3-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2-methylpropanoate
CID 90241658
ethyl 2-(3,4-difluorophenyl)sulfanyl-2-methylpropanoate
CID 116853899
2-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfanylphenyl]acetic acid
CID 82365864
ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate
CID 97307644
ethyl 2-(4-chlorobenzenecarbothioyl)sulfanyl-2-methylpropanoate
CID 122588359
S-(5-chlorothiophen-2-yl)thiohydroxylamine
CID 88928706
ethyl 2-(3-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 68832027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate?
The IUPAC name of ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate (CID 11715914) is ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate is CCOC(=O)C(C)(C)Sc1ccc(Cl)s1.
What is the InChIKey of ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate?
The InChIKey is SVIHAQOXRCWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S2/c1-4-13-9(12)10(2,3)15-8-6-5-7(11)14-8/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate?
ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate has a molecular weight of 264.80 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate is sourced from PubChem (CID 11715914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).