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3-[3-(dimethylamino)propyl]-1-phenylthiourea

3-[3-(dimethylamino)propyl]-1-phenylthiourea

CAS: 722-04-3

Formula: C12H19N3S

SMILES: CN(C)CCCNC(=S)NC1=CC=CC=C1

IUPAC: 3-[3-(dimethylamino)propyl]-1-phenylthiourea

InChI: InChI=1S/C12H19N3S/c1-15(2)10-6-9-13-12(16)14-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H2,13,14,16)

Composition: C (60.72%), H (8.07%), N (17.70%), S (13.51%)

Molar Mass: 237.37

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.129968798
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey YLIDXGCVFKDJHR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.37
Topological Polar Surface Area 27.3
Polarizability 28.66
Ring Count 1
Rotatable Bond Count 5

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