Research chemical
CAS Number: 101670-67-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
58712
Exact Mass
248.948911
InChIKey
LLJPDGVAIMDGFS-UHFFFAOYSA-N
IUPAC Name
1,3,5-triisothiocyanatobenzene
SMILES String
C1=C(C=C(C=C1N=C=S)N=C=S)N=C=S
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
ISOTHIOCYANIC ACID, s-PHENENYL ESTER is identified by CAS 101670-67-1, with molecular formula C9H3N3S3, molecular weight 249.3, InChIKey LLJPDGVAIMDGFS-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
6.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
15
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
1
Aromatic rings
1
Topological polar surface area
37.08 Ų
Computed LogP
3.89
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
ISOTHIOCYANIC ACID, s-PHENENYL ESTER (CAS 101670-67-1) is an English MolGraph catalog reference, molecular formula C9H3N3S3 and molecular weight 249. 30 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.