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3-methylbenzenecarbothioamide

3-methylbenzenecarbothioamide

CAS: 2362-63-2

Formula: C8H9NS

SMILES: CC1=CC(=CC=C1)C(N)=S

IUPAC: 3-methylbenzene-1-carbothioamide

InChI: InChI=1S/C8H9NS/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)

Composition: C (63.54%), H (6.00%), N (9.26%), S (21.20%)

Molar Mass: 151.23

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 151.045570468
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 1
InChIKey NUFFXGAGGYWFAV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.17
Topological Polar Surface Area 26.02
Polarizability 18.35
Ring Count 1
Rotatable Bond Count 1

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