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4-Chlorothiophen-3-amine

CAT: 0926-HAB35642-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-HAB35642-01Size:0.5 g
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CAS Number
632356-42-4
MDL Number
MFCD08460382
Smiles
C1=C (C (=CS1) Cl) N
Molecular Formula
C4H4ClNS
Molecular Weight
133.6 g/mol
Controlled
No

Chemical Information

4-Chlorothiophen-3-amine
CAS Number632356-42-4
PubChem CID22139823
IUPAC Name4-chlorothiophen-3-amine
Molecular FormulaC4H4ClNS
Molecular Weight133.60
XLogP1.5
Topological Polar Surface Area54.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity68
SMILES
C1=C(C(=CS1)Cl)N
InChI
InChI=1S/C4H4ClNS/c5-3-1-7-2-4(3)6/h1-2H,6H2
InChIKey
XCJMRYCTWBDPQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorothiophen-3-amine
CAS: 632356-42-4
CID: 22139823
Formula: C4H4ClNS
MW: 133.60
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight133.60
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass132.9752980
Monoisotopic Mass132.9752980
Topological Polar Surface Area54.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity68.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes