Dithiocarbamic Acid

CAT: 1299-RG-A261966-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261966-04Size:100 mg

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CAS Number

594-07-0

Synonyms

Carbamodithioic acid

Molecular Formula

CH3NS2

Molecular Weight

93.16

Product Name Synonym

Carbamodithioic acid

Chemical Information

Carbamodithioic acid

Carbamodithioic acid is a member of the class of dithiocarbamic acids that is carbamic acid in which the oxo and hydroxy groups have been replaced by a thiocarbonyl and thiol group, respectively. It is a tautomer of a carbonimidodithioic acid.

CAS Number	594-07-0
PubChem CID	3001860
IUPAC Name	carbamodithioic acid
Molecular Formula	CH3NS2
Molecular Weight	93.18
XLogP	0.3
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	33

SMILES

C(=S)(N)S

InChI

InChI=1S/CH3NS2/c2-1(3)4/h(H3,2,3,4)

InChIKey

DKVNPHBNOWQYFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 594-07-0

CID: 3001860

Formula: CH3NS2

MW: 93.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	93.18
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	92.97069145
Monoisotopic Mass	92.97069145
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	33
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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Dithiocarbamic Acid

Chemical Information

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