Isobutylene Sulfide

CAT: 0024-sc-295195ASize: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-295195ASize:25 mL

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CAS Number

3772-13-2

Chemical Information

2,2-Dimethylthiirane

CAS Number	3772-13-2
PubChem CID	138050
IUPAC Name	2,2-dimethylthiirane
Molecular Formula	C4H8S
Molecular Weight	88.17
XLogP	1.3
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	47

SMILES

CC1(CS1)C

InChI

InChI=1S/C4H8S/c1-4(2)3-5-4/h3H2,1-2H3

InChIKey

HGJOFJDIHKHKAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3772-13-2

CID: 138050

Formula: C4H8S

MW: 88.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.17
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	88.03467143
Monoisotopic Mass	88.03467143
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	47.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
281028-01	Isobutylene Sulfide
FI75926-01	Isobutylene oxide
RM-I192106-01	Isoflurane EP Impurity F; Isobutylene
OR1024810-01	Poly (Isobutylene-Alt-Maleic Anhydride)
B6074-5	Sulindac sulfide
HY-W016174-01	Diphenyl sulfide
CS-T-23565	Fensulfothion Sulfide
CS-O-05997	Armodafinil sulfide
TRC-D366820-250MG	Diprenyl Sulfide
TN8046-01	Dipropenyl sulfide