Products for Research Use Only
RegisterLogin

4-Isopropylbenzenecarbothioamide

CAT: 0926-DCA51520-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-DCA51520-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
53515-20-1
MDL Number
MFCD05264094
Smiles
CC (C) C1=CC=C (C=C1) C (=S) N
Molecular Formula
C10H13NS
Molecular Weight
179.28 g/mol
Controlled
No

Chemical Information

4-(Propan-2-yl)benzene-1-carbothioamide

4-propan-2-ylbenzenecarbothioamide is a monoterpenoid.

CAS Number53515-20-1
PubChem CID2078831
IUPAC Name4-propan-2-ylbenzenecarbothioamide
Molecular FormulaC10H13NS
Molecular Weight179.28
XLogP2.7
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity157
SMILES
CC(C)C1=CC=C(C=C1)C(=S)N
InChI
InChI=1S/C10H13NS/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H2,11,12)
InChIKey
SDNLXXUGUAWDAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Propan-2-yl)benzene-1-carbothioamide
CAS: 53515-20-1
CID: 2078831
Formula: C10H13NS
MW: 179.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.28
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass179.07687059
Monoisotopic Mass179.07687059
Topological Polar Surface Area58.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
JXB85075-014,4,4-Trifluorobutanethioamide
AAA461344,4,4-Trifluorobutanamide
FT774274,4,4-Trifluorovaline
AAA406874,4,4-Trifluorobutanal
FE60063-01Ethyl 4,4,4-Trichloroacetoacetate
HCA98858-014- (4'-Bromophenyl) -4-hydroxypiperidine
FCA23456-014- (4-Methoxyphenyl) -4-oxobutanenitrile
FT47010-014,4',4''-Trimethoxytrityl chloride
QCA61952-014- (4-Bromophenyl) -4-dimethylaminocyclohexanone
QBA39487-014- (4-Chlorophenyl) -4-oxobutanenitrile

Alternative Products

CatalogName
sc-2774504-isopropylbenzenecarbothioamide
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
OR1011274-014,4',4'',4'''-Methanetetrayltetrabenzoic Acid

Popular Products