1-chloro-3-methyl-5-thionitrosobenzene

C7H6ClNS — CID 129018599

IUPAC1-chloro-3-methyl-5-thionitrosobenzene
SMILESCc1cc(Cl)cc(N=S)c1
InChIInChI=1S/C7H6ClNS/c1-5-2-6(8)4-7(3-5)9-10/h2-4H,1H3
InChIKeyHVNVLAMYQZTZKT-UHFFFAOYSA-N
MW171.65 g/mol
LogP3.01
Rot. Bonds1

About 1-chloro-3-methyl-5-thionitrosobenzene

1-chloro-3-methyl-5-thionitrosobenzene (PubChem CID 129018599) has the molecular formula C7H6ClNS and a molecular weight of 171.65 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-thionitrosobenzene.

Molecular Properties

Compound Name1-chloro-3-methyl-5-thionitrosobenzene
PubChem CID129018599
Molecular FormulaC7H6ClNS
Molecular Weight171.65 g/mol
Exact Mass170.99
IUPAC Name1-chloro-3-methyl-5-thionitrosobenzene
SMILESCc1cc(Cl)cc(N=S)c1
InChIInChI=1S/C7H6ClNS/c1-5-2-6(8)4-7(3-5)9-10/h2-4H,1H3
InChIKeyHVNVLAMYQZTZKT-UHFFFAOYSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 159052799
CID 159052799
1-(3-chloro-5-methylphenyl)ethanethione
CID 142934981
3-chloro-5-methylaniline;ethane
CID 142083431
1,3-dichloro-5-methylbenzene;toluene
CID 143933195
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776
O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine
CID 117276898
1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane
CID 155737841
N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
CID 81324019
tris(3-chloro-5-methylphenyl)methanol
CID 10250742
3-(3-chloro-5-methylphenyl)propan-1-amine
CID 83696794
1-chloro-3-cyclopropyl-5-methylbenzene
CID 90222242
1-chloro-3,5-dimethylbenzene;phenol
CID 158089638

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-thionitrosobenzene?
The IUPAC name of 1-chloro-3-methyl-5-thionitrosobenzene (CID 129018599) is 1-chloro-3-methyl-5-thionitrosobenzene.
What is the SMILES notation for 1-chloro-3-methyl-5-thionitrosobenzene?
The canonical SMILES for 1-chloro-3-methyl-5-thionitrosobenzene is Cc1cc(Cl)cc(N=S)c1.
What is the InChIKey of 1-chloro-3-methyl-5-thionitrosobenzene?
The InChIKey is HVNVLAMYQZTZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNS/c1-5-2-6(8)4-7(3-5)9-10/h2-4H,1H3.
What are the key properties of 1-chloro-3-methyl-5-thionitrosobenzene?
1-chloro-3-methyl-5-thionitrosobenzene has a molecular weight of 171.65 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-thionitrosobenzene is sourced from PubChem (CID 129018599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).