3,5-Dimethyl-1,2,4-Trithiolane

CAT: 1596-AR-T04922-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T04922-01Size:10 Units

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CAS Number

23654-92-4

Molecular Formula

C4H8S3

Molecular Weight

152.29

API Name

Thiolane

Chemical Information

3,5-Dimethyl-1,2,4-trithiolane

CAS Number	23654-92-4
PubChem CID	32033
IUPAC Name	3,5-dimethyl-1,2,4-trithiolane
Molecular Formula	C4H8S3
Molecular Weight	152.3
XLogP	2.4
Topological Polar Surface Area	75.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	56

SMILES

CC1SC(SS1)C

InChI

InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3

InChIKey

HFRUNLRFNNTTPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23654-92-4

CID: 32033

Formula: C4H8S3

MW: 152.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.3
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	151.97881378
Monoisotopic Mass	151.97881378
Topological Polar Surface Area	75.9 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	56
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-T04830-01	3,6-Dimethyl-1,2,4,5-Tetrathiane
AR-O01260-01	4,5-dimethyl-1,3-dioxol-2-one
AR-I01113-01	2- (1-Chloroethyl) -2- (4′-isobutylphenyl) -5,5-dimethyl-1,3-dioxane
AR-C05574-01	3-Pyrrolidinepropanamide, 4,4-dimethyl-2,5-dioxo
AR-D01932-01	Cis-4,5-dichloro-4,5-dimethyl-1,3-dioxolan-2-one
AR-T06027-01	4,6-Dimethyl-2-ethyl-1,3,5-trioxane
AR-D01931-01	Trans-4,5-dichloro-4,5-dimethyl-1,3-dioxolan-2-one
AR-P03360-01	2- (chloromethyl) -3,5-dimethyl-4-nitropyridine
AR-U01062-01	4,5-Diamino-1,3-dimethyl Uracil
AR-P29656-01	1,5-Dimethyl 3- (2-methylpropyl) pentanedioate

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