Methanethiol

CAS: 74-93-1 · CH4S

2D Structure

Loading 3D structure...

CAS Registry Number

74-93-1

SMILES

CS

InChI Key

LSDPWZHWYPCBBB-UHFFFAOYSA-N

InChI

InChI=1S/CH4S/c1-2/h2H,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	48.11 g/mol	CAS Common Chemistry
	48.11000000000001 g/mol	RDKit
	48.103 g/mol	chempirical lib
Density	0.96 g/cm³	CAS Common Chemistry
	0.9600 g/cm3 @ 25 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Methanethiol	CAS Common Chemistry
Canonical SMILES	SC	CAS Common Chemistry
InChI	InChI=1S/CH4S/c1-2/h2H,1H3	CAS Common Chemistry
InChI Key	InChIKey=LSDPWZHWYPCBBB-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-123 °C	CAS Common Chemistry
Name	Methanethiol	CAS Common Chemistry
Heavy Atom Count	2	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	0.546	RDKit
Molar Refractivity	14.910000000000002 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	48.003371128 g/mol	RDKit
Boiling Point	5.95 °C @ 760 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 48.11 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)