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1-Methylindoline-2-thione

CAT: 0127-OR1040994-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1040994-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13637-38-2
MDL Number
MFCD18809114
Purity
98%
Smiles
CN1C2=CC=CC=C2CC1=S

Chemical Information

1,3-Dihydro-1-methyl-2H-indole-2-thione
CAS Number13637-38-2
PubChem CID26156
IUPAC Name1-methyl-3H-indole-2-thione
Molecular FormulaC9H9NS
Molecular Weight163.24
XLogP1.6
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity178
SMILES
CN1C(=S)CC2=CC=CC=C21
InChI
InChI=1S/C9H9NS/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3
InChIKey
GBSPZRWQIJCQQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dihydro-1-methyl-2H-indole-2-thione
CAS: 13637-38-2
CID: 26156
Formula: C9H9NS
MW: 163.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.24
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass163.04557046
Monoisotopic Mass163.04557046
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity178
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

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