Methyl hydrazinecarbodithioate

CAT: 0127-OR31015-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR31015-01Size:250 mg

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CAS Number

5397-03-5

MDL Number

MFCD00463356

Purity

=95%

Smiles

CSC(=S)NN

Chemical Information

Methyldithiocarbazate

structure

CAS Number	5397-03-5
PubChem CID	3034069
IUPAC Name	methyl N-aminocarbamodithioate
Molecular Formula	C2H6N2S2
Molecular Weight	122.22
XLogP	0.3
Topological Polar Surface Area	95.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	53

SMILES

CSC(=S)NN

InChI

InChI=1S/C2H6N2S2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)

InChIKey

ILAXBOIRSPXAMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5397-03-5

CID: 3034069

Formula: C2H6N2S2

MW: 122.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.22
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	121.99724055
Monoisotopic Mass	121.99724055
Topological Polar Surface Area	95.4 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	53.5
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

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