Dibutylcarbamodithioic acid

CAT: 0127-OR1040517-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1040517-01Size:100 mg

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CAS Number

150-11-8

Purity

98%

Smiles

S=C(S)N(CCCC)CCCC

Chemical Information

Dibutyldithiocarbamic acid

Dibutyldithiocarbamic acid is a member of the class of dithiocarbamic acids that is dibutylcarbamic acid in which both of the oxygens are replaced by sulfur. It is a conjugate acid of a dibutyldithiocarbamate.

CAS Number	150-11-8
PubChem CID	8685
IUPAC Name	dibutylcarbamodithioic acid
Molecular Formula	C9H19NS2
Molecular Weight	205.4
XLogP	3.4
Topological Polar Surface Area	36.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	118

SMILES

CCCCN(CCCC)C(=S)S

InChI

InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)

InChIKey

SZRLKIKBPASKQH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150-11-8

CID: 8685

Formula: C9H19NS2

MW: 205.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	205.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	205.09589196
Monoisotopic Mass	205.09589196
Topological Polar Surface Area	36.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	118
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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Dibutylcarbamodithioic acid

Chemical Information

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