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N-(Methylsulfanylmethyl)aniline

CAS
98499-59-3
Catalog Number
ACM98499593
Category
Other Products
Molecular Weight
153.245 g/mol
Molecular Formula
C8H11NS
MSDS COA Spec Sheet

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Specification

Synonyms
EFI 154, N-((Methylthio)methyl)aniline, CCRIS 7529, N-(Metiltiometil)anilina [Italian], ANILINE, N-((METHYLTHIO)METHYL)-, 98499-59-3, N-(Metiltiometil)anilina, AC1L1MY0, SureCN10795667, N-(methylsulfanylmethyl)aniline, N-[(methylsulfanyl)methyl]aniline, LS-19907
IUPAC Name
N-(methylsulfanylmethyl)aniline
Canonical SMILES
CSCNC1=CC=CC=C1
InChI Key
AVTORQFIRUDRMD-UHFFFAOYSA-N
Boiling Point
271.1ºC at 760 mmHg
Flash Point
117.8ºC
Density
1.099g/cm³
Exact Mass
153.06100
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of N-(methylsulfanylmethyl)aniline?

The molecular formula is C8H11NS.

What is the molecular weight of N-(methylsulfanylmethyl)aniline?

The molecular weight is 153.25 g/mol.

What is the IUPAC name of N-(methylsulfanylmethyl)aniline?

The IUPAC name is N-(methylsulfanylmethyl)aniline.

What is the InChI of N-(methylsulfanylmethyl)aniline?

The InChI is InChI=1S/C8H11NS/c1-10-7-9-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.

What is the InChIKey of N-(methylsulfanylmethyl)aniline?

The InChIKey is AVTORQFIRUDRMD-UHFFFAOYSA-N.

What is the canonical SMILES of N-(methylsulfanylmethyl)aniline?

The canonical SMILES is CSCNC1=CC=CC=C1.

What is the CAS number of N-(methylsulfanylmethyl)aniline?

The CAS number is 98499-59-3.

What is the UNII of N-(methylsulfanylmethyl)aniline?

The UNII is 9ZSF0DJ08J.

What is the hydrogen bond donor count of N-(methylsulfanylmethyl)aniline?

The hydrogen bond donor count is 1.

Is N-(methylsulfanylmethyl)aniline a canonicalized compound?

Yes, N-(methylsulfanylmethyl)aniline is canonicalized.

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