2,4-dimethylbenzenecarbothioamide

CAT: 0024-sc-275347Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-275347Size:1 g

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CAS Number

57182-70-4

Chemical Information

2,4-Dimethylbenzenecarbothioamide

CAS Number	57182-70-4
PubChem CID	2517680
IUPAC Name	2,4-dimethylbenzenecarbothioamide
Molecular Formula	C9H11NS
Molecular Weight	165.26
XLogP	2.1
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	156

SMILES

CC1=CC(=C(C=C1)C(=S)N)C

InChI

InChI=1S/C9H11NS/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H2,10,11)

InChIKey

UQGIEZGCCUAUGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57182-70-4

CID: 2517680

Formula: C9H11NS

MW: 165.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.26
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	165.06122053
Monoisotopic Mass	165.06122053
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156
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
sc-474953	2,2',4,4'-Tetramethylbenzophenone
sc-474043	2,2,4,4-Tetramethyloctane
sc-225586	2,2',4,4'-Tetrahydroxybenzophenone
sc-265948	2,2,4,4-Tetramethylpentane
sc-213935	2,2',4,4'-Tetranitrodiphenylmethane
sc-213934	2,2',4,4'-Tetranitrobenzophenone
sc-506837	2- (2,2,3,4,4,4-Hexafluorobutoxy) ethanol
sc-474888	Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)
sc-251348	Trimethyl 2,2':6',2"-terpyridine-4,4',4"-tricarboxylate
sc-358167	Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate

Catalog	Name
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
T3000	2,2’,4,4’-Tetranitrobenzophenone
OR948311	2,2,4,4-Tetramethylcyclopentanone
CAA43779-01	2,2',4,4'-Tetrachlorobiphenyl