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4- (2-CHLOROPHENYL) -3-THIOSEMICARBAZIDE

CAT: 0013-GTR19257298-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257298-01Size:200 mg
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Description
4- (2-CHLOROPHENYL) -3-THIOSEMICARBAZIDE, with CAS No. 42135-75-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4- (2-CHLOROPHENYL) -3-THIOSEMICARBAZIDE provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
42135-75-1
Product Name Alternative
4 (2CHLOROPHENYL) 3THIOSEMICARBAZIDE, 4 (2 CHLOROPHENYL) 3 THIOSEMICARBAZIDE
Purity
95.54% (May vary between batches)
Solubility
DMSO:40.34 mg/mL (200.02 mM)
Smiles
NNC (=S) NC1=C (Cl) C=CC=C1
Molecular Formula
C7H8ClN3S
Molecular Weight
201.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-Chlorophenyl)hydrazinecarbothioamide

N-(2-chlorophenyl)hydrazine-1-carbothioamide is an organochlorine compound.

CAS Number42135-75-1
PubChem CID717704
IUPAC Name1-amino-3-(2-chlorophenyl)thiourea
Molecular FormulaC7H8ClN3S
Molecular Weight201.68
XLogP1
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
C1=CC=C(C(=C1)NC(=S)NN)Cl
InChI
InChI=1S/C7H8ClN3S/c8-5-3-1-2-4-6(5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKey
OLLXBDOYXPALCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Chlorophenyl)hydrazinecarbothioamide
CAS: 42135-75-1
CID: 717704
Formula: C7H8ClN3S
MW: 201.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.68
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass201.0127461
Monoisotopic Mass201.0127461
Topological Polar Surface Area82.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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

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