4-Aminothiobenzamide

CAT: 0127-OR11119-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR11119-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

4714-67-4

Synonyms

4-Aminobenzenecarbothioamide, 4-Carbamothioylaniline

MDL Number

MFCD00040927

Purity

97%

Smiles

NC(=S)c1ccc(N)cc1

Chemical Information

p-Aminobenzothiamide

CAS Number	4714-67-4
PubChem CID	2756559
IUPAC Name	4-aminobenzenecarbothioamide
Molecular Formula	C7H8N2S
Molecular Weight	152.22
XLogP	1.1
Topological Polar Surface Area	84.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	128

SMILES

C1=CC(=CC=C1C(=S)N)N

InChI

InChI=1S/C7H8N2S/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)

InChIKey

LZJVSPPXXGXGQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4714-67-4

CID: 2756559

Formula: C7H8N2S

MW: 152.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.22
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	152.04081944
Monoisotopic Mass	152.04081944
Topological Polar Surface Area	84.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	128
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
OR49000-01	2-Aminothiobenzamide
OR1862-01	3-Aminothiobenzamide
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid

Catalog	Name
258229-01	4-Aminothiobenzamide
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-100g	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide