C1=CC=C(C=C1)CSCCl
CAS: 3970-13-6
Name: chloromethylsulfanylmethylbenzene
SMILES: C1=CC=C(C=C1)CSCCl

Molecular Processing

Molecular formula
C8H9ClS
Molecular weight
172.68
Exact mass
172.0113
XLogP
3.12
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
48.46

Supplementary Information

InChIKey: UMFDSFPDTLREFS-UHFFFAOYSA-N
Synonyme
Benzyl chloromethyl sulfideDTXSID90313035RefChem:566742DTXCID90264159678-049-83970-13-6Benzyl(chloromethyl)sulfanechloromethylsulfanylmethylbenzene{[(Chloromethyl)thio]methyl}benzene{[(CHLOROMETHYL)SULFANYL]METHYL}BENZENEMFCD02093436NSC266050benzyl chloromethyl thioetherchloro(phenylmethylthio)methaneSCHEMBL231574alpha-(Chloromethylthio)tolueneSBB055458AKOS025116850NSC 266050NSC-266050Benzene, [[(chloromethyl)thio]methyl]-AS-59128SY051326([(Chloromethyl)sulfanyl]methyl)benzene #DB-049467B1937CS-0205241D88878F068227
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