3-Methyl-1,2,4-Trithiane

CAT: 1596-AR-T04829-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T04829-01Size:10 Units

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CAS Number

43040-01-3

Molecular Formula

C4H8S3

Molecular Weight

152.29

API Name

Thiane

Chemical Information

3-Methyl-1,2,4-trithiane

3-Methyl-1,2,4-trithiane is a metabolite found in or produced by Saccharomyces cerevisiae.

CAS Number	43040-01-3
PubChem CID	65290
IUPAC Name	3-methyl-1,2,4-trithiane
Molecular Formula	C4H8S3
Molecular Weight	152.3
XLogP	1.9
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	54

SMILES

CC1SCCSS1

InChI

InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3

InChIKey

UXPUEXDAOSQIQS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 43040-01-3

CID: 65290

Formula: C4H8S3

MW: 152.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.3
XLogP3	1.9
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	54.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-T01855-01	Thioctic Acid EP Impurity A (1,2,3-Trithiane-4-Pentanoic Acid)
AR-P01732-01	2-methyl-1,2,3,4-tetrahydroisoquinoline-4,8-diol
AR-P03075-01	2- (2,4-Dichlorophenyl) -2-methyl-4-propyl-1,3-dioxolane
AR-C08610-01	Methyl 4-hydroxy-4-methyl-2- (3-nitrophenyl) -6-oxocyclohexane-1-carboxylate
AR-N01694-01	3-Methyl-2,4-Nonanedione
AR-T04922-01	3,5-Dimethyl-1,2,4-Trithiolane
AR-P31831-01	Methyl 1-methyl-4-Oxopiperidine-3-Carboxylate
AR-O01467-01	2-Methyl-1,4-dinitroimidazole
AR-I01888-01	1,2,3,4-Tetrahydro-4,6-Dihydroxy-2-Methyl-Isoquinoline
AR-B06638-01	Methyl 4- (1,3-dimethoxy-1,3-dioxopropan-2-yl) -2-aminobenzoate

Catalog	Name
290472-01	1,2,3-Trithiane-4-pentanoic Acid
sc-223005	1,3,5-Trithiane
sc-487342	2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane
GTR19243266	Hexamethyl-1,3,5-trithiane
OR1009877-01	2,2,4,4,6,6-Hexamethyl-S-trithiane
T32255	S-Trithiane 97%
VPC07956-01	Methyl 1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate
AP KR 0445-01	Methyl 2-[ (1,4-diacetyloxynaphthalen-2-yl) methyl]-4- (2-methyl-1,3-dioxolan-2-yl) -3-oxobutanoate
UAA34378	4-Methyl-1,2,3,4-tetrahydroquinoline
KEA84171-01	4-Methyl-1,2,3,4-tetrahydroisoquinoline