Thiirane

CAS: 420-12-2 · C2H4S

2D Structure

Loading 3D structure...

CAS Registry Number

420-12-2

SMILES

C1CS1

InChI Key

VOVUARRWDCVURC-UHFFFAOYSA-N

InChI

InChI=1S/C2H4S/c1-2-3-1/h1-2H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	60.12 g/mol	CAS Common Chemistry
	60.120999999999995 g/mol	RDKit
	60.121 g/mol	RDKit
	60.114 g/mol	chempirical lib
Density	1.04 g/cm³	CAS Common Chemistry
	1.0368 g/cm3 @ 0 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Thiirane	CAS Common Chemistry
Boiling Point	55-56 °C	CAS Common Chemistry
Canonical SMILES	S1CC1	CAS Common Chemistry
InChI	InChI=1S/C2H4S/c1-2-3-1/h1-2H2	CAS Common Chemistry
InChI Key	InChIKey=VOVUARRWDCVURC-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	203-208 °C	CAS Common Chemistry
Name	Thiirane	CAS Common Chemistry
Heavy Atom Count	3	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	0.7332000000000001	RDKit
	0.7332	RDKit
Molar Refractivity	17.325 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	60.003371128 g/mol	RDKit

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 = 60.12 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.

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