Acetone Thiosemicarbazone

CAT: 0926-BAA75230-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-BAA75230-01Size:50 mg

Selected

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

Quick Request Actions

CAS Number

1752-30-3

MDL Number

MFCD00022153

Smiles

CC (=NNC (=S) N) C

Molecular Formula

C4H9N3S

Molecular Weight

131.2 g/mol

Controlled

Chemical Information

Acetone thiosemicarbazide

Acetone thiosemicarbazide is a solid. (EPA, 1998)

CAS Number	1752-30-3
PubChem CID	2770166
IUPAC Name	(propan-2-ylideneamino)thiourea
Molecular Formula	C4H9N3S
Molecular Weight	131.20
XLogP	-0.2
Topological Polar Surface Area	82.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	114

SMILES

CC(=NNC(=S)N)C

InChI

InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)

InChIKey

FQUDPIIGGVBZEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1752-30-3

CID: 2770166

Formula: C4H9N3S

MW: 131.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.20
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	131.05171847
Monoisotopic Mass	131.05171847
Topological Polar Surface Area	82.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	114
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
FC169501	Cinnamaldehyde thiosemicarbazone
CAA30293-01	Acetophenone thiosemicarbazone
SAA76588	5,7-dimethylisatin, 3-thiosemicarbazone
AAA48716	2,3-Indoledione 3-Thiosemicarbazone
FC165296-01	Cabazitaxel acetone
AAA66652-01	Acetone D6
FAA28120	Acetone hydrazone
RHC67454-01	Ledipasvir (acetone)
FF23471-01	(4-Fluorophenyl) acetone
FE70038-01	(2-Ethoxyphenyl) acetone

Catalog	Name
OR1044131	Acetone thiosemicarbazone
HY-W291131-01	Isatin-β-thiosemicarbazone
OR10297	Cinnamaldehyde thiosemicarbazone
BUP09128-01	Isatin-ß-thiosemicarbazone
MBS5803004	Isatin-beta-thiosemicarbazone
GTR19191942-01	2-Acetylthiophene thiosemicarbazone
TRC-C327115-1G	4-Chlorobenzaldehyde thiosemicarbazone
sc-306882	2-Aminonicotinaldehyde thiosemicarbazone
OR1002880-01	4-aminobenzaldehyde thiosemicarbazone
P32305-01	Pyruvaldehyde-bis-thiosemicarbazone