dithiophen-2-yl 2-hydroxybutanedioate

C12H10O5S2 — CID 174458468

IUPACdithiophen-2-yl 2-hydroxybutanedioate
SMILESO=C(CC(O)C(=O)Oc1cccs1)Oc1cccs1
InChIInChI=1S/C12H10O5S2/c13-8(12(15)17-11-4-2-6-19-11)7-9(14)16-10-3-1-5-18-10/h1-6,8,13H,7H2
InChIKeyICNUDDIXRVDUCV-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.07
Rot. Bonds5

About dithiophen-2-yl 2-hydroxybutanedioate

dithiophen-2-yl 2-hydroxybutanedioate (PubChem CID 174458468) has the molecular formula C12H10O5S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is dithiophen-2-yl 2-hydroxybutanedioate.

Molecular Properties

Compound Namedithiophen-2-yl 2-hydroxybutanedioate
PubChem CID174458468
Molecular FormulaC12H10O5S2
Molecular Weight298.34 g/mol
Exact Mass298.00
IUPAC Namedithiophen-2-yl 2-hydroxybutanedioate
SMILESO=C(CC(O)C(=O)Oc1cccs1)Oc1cccs1
InChIInChI=1S/C12H10O5S2/c13-8(12(15)17-11-4-2-6-19-11)7-9(14)16-10-3-1-5-18-10/h1-6,8,13H,7H2
InChIKeyICNUDDIXRVDUCV-UHFFFAOYSA-N
XLogP2.07
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 160726441
CID 160726441
thiophen-2-yl 4-sulfanylbutanoate
CID 87508338
thiophen-2-yl (2S)-2-amino-4-sulfanylbutanoate
CID 174919096
thiophen-2-yl pent-4-enoate
CID 174368768
3-hydroxy-4-thiophen-2-yloxybutanoic acid
CID 69271793
thiophen-2-yl acetate
CID 23617313
sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate
CID 175523967
thiophen-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 56997717
dinaphthalen-2-yl (2S)-2-hydroxybutanedioate
CID 101049041
thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
CID 66167892
2-methylthiophene;urea
CID 162125784
4-amino-4-thiophen-2-ylbutanamide
CID 60860619

Frequently Asked Questions

What is the IUPAC name of dithiophen-2-yl 2-hydroxybutanedioate?
The IUPAC name of dithiophen-2-yl 2-hydroxybutanedioate (CID 174458468) is dithiophen-2-yl 2-hydroxybutanedioate.
What is the SMILES notation for dithiophen-2-yl 2-hydroxybutanedioate?
The canonical SMILES for dithiophen-2-yl 2-hydroxybutanedioate is O=C(CC(O)C(=O)Oc1cccs1)Oc1cccs1.
What is the InChIKey of dithiophen-2-yl 2-hydroxybutanedioate?
The InChIKey is ICNUDDIXRVDUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5S2/c13-8(12(15)17-11-4-2-6-19-11)7-9(14)16-10-3-1-5-18-10/h1-6,8,13H,7H2.
What are the key properties of dithiophen-2-yl 2-hydroxybutanedioate?
dithiophen-2-yl 2-hydroxybutanedioate has a molecular weight of 298.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dithiophen-2-yl 2-hydroxybutanedioate is sourced from PubChem (CID 174458468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).