2-(3-cyclopropylthian-3-yl)acetic acid

C10H16O2S — CID 83819300

IUPAC2-(3-cyclopropylthian-3-yl)acetic acid
SMILESO=C(O)CC1(C2CC2)CCCSC1
InChIInChI=1S/C10H16O2S/c11-9(12)6-10(8-2-3-8)4-1-5-13-7-10/h8H,1-7H2,(H,11,12)
InChIKeyURFUWEMRRWGHGA-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.38
Rot. Bonds3

About 2-(3-cyclopropylthian-3-yl)acetic acid

2-(3-cyclopropylthian-3-yl)acetic acid (PubChem CID 83819300) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(3-cyclopropylthian-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropylthian-3-yl)acetic acid
PubChem CID83819300
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-(3-cyclopropylthian-3-yl)acetic acid
SMILESO=C(O)CC1(C2CC2)CCCSC1
InChIInChI=1S/C10H16O2S/c11-9(12)6-10(8-2-3-8)4-1-5-13-7-10/h8H,1-7H2,(H,11,12)
InChIKeyURFUWEMRRWGHGA-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-aminopropan-2-yl)thian-3-yl]acetic acid
CID 66089784
2-[3-(1-fluoroethyl)thian-3-yl]acetic acid
CID 115024732
2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid
CID 18335043
2-(3-hydroxy-4,4-dimethylthian-3-yl)acetic acid
CID 79955999
2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid
CID 82397414
2-(4-hydroxy-3,3-dimethylthian-4-yl)acetic acid
CID 83908673
2-[3-(aminomethyl)thiolan-3-yl]acetic acid
CID 66098933
2-(3-piperidin-1-ylthiolan-3-yl)acetic acid
CID 64527014
2-[(2S)-2-methylthiolan-2-yl]acetic acid
CID 129363672
2-[3-(2-aminopropan-2-yl)thiolan-3-yl]acetic acid
CID 66089316
2-fluoro-2-(3-hydroxythian-3-yl)acetic acid
CID 79366891
2-[2,2-diamino-1-(carboxymethyl)cyclohexyl]acetic acid
CID 57123827

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylthian-3-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropylthian-3-yl)acetic acid (CID 83819300) is 2-(3-cyclopropylthian-3-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropylthian-3-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropylthian-3-yl)acetic acid is O=C(O)CC1(C2CC2)CCCSC1.
What is the InChIKey of 2-(3-cyclopropylthian-3-yl)acetic acid?
The InChIKey is URFUWEMRRWGHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c11-9(12)6-10(8-2-3-8)4-1-5-13-7-10/h8H,1-7H2,(H,11,12).
What are the key properties of 2-(3-cyclopropylthian-3-yl)acetic acid?
2-(3-cyclopropylthian-3-yl)acetic acid has a molecular weight of 200.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylthian-3-yl)acetic acid is sourced from PubChem (CID 83819300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).