3-(methylthio)phenyl isothiocyanate

3-(甲基硫代)苯基异硫氰酸酯

Also known as: 3-(METHYLTHIO)PHENYL ISOTHIOCYANATE, 1-isothiocyanato-3-(methylthio)benzene, 1-isothiocyanato-3-methylsulfanylbenzene, 3-(Methylthio)phenyl isothiocyate, 99%, Benzene, 1-isothiocyanato-3-(methylthio)-, MFCD00041079, 1-ISOTHIOCYANATO-3-METHYLSULFANYL-BENZENE

3-(methylthio)phenyl isothiocyanate (CAS 51333-80-3) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C8H7NS2 and a molecular weight of 181.27800 g/mol. It is also known as 3-(METHYLTHIO)PHENYL ISOTHIOCYANATE, 1-isothiocyanato-3-(methylthio)benzene and 1-isothiocyanato-3-methylsulfanylbenzene. Key properties include a boiling point of 306-307 °C(lit.), a density of 1.211 g/mL at 25 °C(lit.) and a flash point of >230 °F. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 51333-80-3
Jingsj CID: J-1445330-0
Molecular Formula: C₈H₇NS₂
Chinese Name: 3-(甲基硫代)苯基异硫氰酸酯
Molecular Weight: 181.27800 g/mol
Category: Organic Acids
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	306-307 °C(lit.)
Density	1.211 g/mL at 25 °C(lit.)
Flash Point	>230 °F

Frequently Asked Questions

What is the CAS number of 3-(methylthio)phenyl isothiocyanate?

The CAS number of 3-(methylthio)phenyl isothiocyanate is 51333-80-3.

What are the molecular formula and molecular weight of 3-(methylthio)phenyl isothiocyanate?

3-(methylthio)phenyl isothiocyanate has molecular formula C8H7NS2 and molecular weight 181.27800 g/mol.

Data compiled from public chemical databases and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "3-(methylthio)phenyl isothiocyanate (CAS 51333-80-3)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1445330-0 (accessed 2026-10-25).

Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.