Dimaprit dihydrochloride

CAT: 0926-YAA25633-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-YAA25633-01Size:100 mg

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CAS Number

23256-33-9

MDL Number

MFCD00069260

Smiles

CN (C) CCCSC (=N) N.Cl.Cl

Molecular Formula

C6H15N3S·2HCl

Molecular Weight

234.19 g/mol

Controlled

Chemical Information

Carbamimidothioic acid, 3-(dimethylamino)propyl ester, hydrochloride (1:2)

CAS Number	23256-33-9
PubChem CID	24871266
IUPAC Name	3-(dimethylamino)propyl carbamimidothioate;hydrochloride
Molecular Formula	C6H16ClN3S
Molecular Weight	197.73
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	103

SMILES

CN(C)CCCSC(=N)N.Cl

InChI

InChI=1S/C6H15N3S.ClH/c1-9(2)4-3-5-10-6(7)8;/h3-5H2,1-2H3,(H3,7,8);1H

InChIKey

XFELLTMDCGRCBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23256-33-9

CID: 24871266

Formula: C6H16ClN3S

MW: 197.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.73
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	197.0753464
Monoisotopic Mass	197.0753464
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	103
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	2
Compound Is Canonicalized	Yes

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