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MreB Perturbing Compound A22

CAT: 0024-sc-204100Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204100Size:25 mg
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CAS Number
22816-60-0

Chemical Information

2-(3,4-Dichloro-benzyl)-isothiourea hydrochloride
CAS Number22816-60-0
PubChem CID2830968
IUPAC Name(3,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
Molecular FormulaC8H9Cl3N2S
Molecular Weight271.6
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity189
SMILES
C1=CC(=C(C=C1CSC(=N)N)Cl)Cl.Cl
InChI
InChI=1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
InChIKey
VBJNMXMOMSWRDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dichloro-benzyl)-isothiourea hydrochloride
CAS: 22816-60-0
CID: 2830968
Formula: C8H9Cl3N2S
MW: 271.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass269.955203
Monoisotopic Mass269.955203
Topological Polar Surface Area75.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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