7-Carboxy-1-heptanethiol

• CAS: 74328-61-3
• Catalog Number: ACM74328613
• Category: Biomaterials
• Molecular Weight: 176.27644
• Molecular Formula: C₈H₁₆O₂S
• Synonyms: 7-CARBOXY-1-HEPTANETHIOL;8-Mercaptooctanoic acid,8-Thiooctanoic acid, MOA;MOA;8-Mercaptooctanoic acid 95%
• IUPAC Name: 8-sulfanyloctanoic acid
• Canonical SMILES: C(CCCC(=O)O)CCCS
• InChI Key: FYEMIKRWWMYBFG-UHFFFAOYSA-N
• Boiling Point: 302ºC at 760 mmHg
• Flash Point: 136.4ºC
• Density: 1.0326 g/mL at 25ºC
• Exact Mass: 176.08700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Safety Description: 26

Custom Q&A

What is the molecular formula of 7-Carboxy-1-heptanethiol?

The molecular formula of 7-Carboxy-1-heptanethiol is C8H16O2S.

What is the molecular weight of 7-Carboxy-1-heptanethiol?

The molecular weight of 7-Carboxy-1-heptanethiol is 176.28 g/mol.

What is the IUPAC name of 7-Carboxy-1-heptanethiol?

The IUPAC name of 7-Carboxy-1-heptanethiol is 8-sulfanyloctanoic acid.

What is the InChI key of 7-Carboxy-1-heptanethiol?

The InChI key of 7-Carboxy-1-heptanethiol is FYEMIKRWWMYBFG-UHFFFAOYSA-N.

What is the canonical SMILES of 7-Carboxy-1-heptanethiol?

The canonical SMILES of 7-Carboxy-1-heptanethiol is C(CCCC(=O)O)CCCS.

What is the CAS number of 7-Carboxy-1-heptanethiol?

The CAS number of 7-Carboxy-1-heptanethiol is 74328-61-3.

What is the XLogP3 value of 7-Carboxy-1-heptanethiol?

The XLogP3 value of 7-Carboxy-1-heptanethiol is 0.9.

How many hydrogen bond donor counts does 7-Carboxy-1-heptanethiol have?

7-Carboxy-1-heptanethiol has 2 hydrogen bond donor counts.

How many rotatable bond counts does 7-Carboxy-1-heptanethiol have?

7-Carboxy-1-heptanethiol has 7 rotatable bond counts.

Is 7-Carboxy-1-heptanethiol a canonicalized compound?

Yes, 7-Carboxy-1-heptanethiol is a canonicalized compound.