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4-amino-2-(butylsulfanyl)-N-methylbenzamide

4-amino-2-(butylsulfanyl)-N-methylbenzamide

CAS: 921076-60-0

Formula: C12H18N2OS

SMILES: CCCCSC1=C(C=CC(N)=C1)C(=O)NC

IUPAC: 4-amino-2-(butylsulfanyl)-N-methylbenzamide

InChI: InChI=1S/C12H18N2OS/c1-3-4-7-16-11-8-9(13)5-6-10(11)12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)

Composition: C (60.47%), H (7.61%), N (11.75%), O (6.71%), S (13.45%)

Molar Mass: 238.35

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.113984382
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey MIZBXADTWPUFQK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.42
Topological Polar Surface Area 55.12
Polarizability 26.55
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 921076-60-0 $202.14$202.14
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