CC(C)SC1=C(C=CC=N1)CCl
Name: 3-(chloromethyl)-2-propan-2-ylsulfanylpyridine
SMILES: CC(C)SC1=C(C=CC=N1)CCl

Molecular Processing

Molecular formula
C9H12ClNS
Molecular weight
201.72
Exact mass
201.0379
XLogP
3.32
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
54.79

Supplementary Information

InChIKey: FSWAXAJQJMIVGW-UHFFFAOYSA-N
Synonyme
SCHEMBL9432965FSWAXAJQJMIVGW-UHFFFAOYSA-N3-chloromethyl-2-isopropylsulfanyl-pyridine
Quelle anzeigen →
An 11 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→