Drug Details

Name:	Isothiocyanotaomethylbenzene
PubChem ID:	2346
Pathway:	-
InChI:	InChI=1/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
SMILES:	c1ccc(cc1)CN=C=S
Properties:	Formula: C8H7NS Atoms: 10 Molecular Weight: 149.213 Rotatable Bonds: 2 H-bond Acceptors: 1 H-bond Donors: 0 logP: 2.2894
Targets:	Name Uniprot ID Source References Interaction Caspase ICE_DROME PROMISCUOUS PMID 9458080 shows Transient receptor potential cation channel subfamily A member 1 TRPA1_HUMAN BindingDB - shows enlarge table
Synonyms:	(isothiocyanatomethyl)benzene 252492_ALDRICH 4-12-00-02276 (Beilstein Handbook Reference) 622-78-6 a-isothiocyanatotoluene AB 2 AB 2 (VAN) AB1003147 AC1L1DH3 AC1Q7EX9 AC1Q7EYE AI3-02736 AKOS000212138 alpha-isothiocyanatotoluene AR-1H6693 BB_SC-6549 Benzene, (isothiocyanatomethyl)- Benzyl isothio cyanate Benzyl isothiocyanate Benzyl mustard oil Benzyl-isothiocyanate Benzylisothiocyanate Benzylsenfoel Benzylsenfoel [German] BRN 0386135 BSPBio_002526 C03098 C031403 CCG-35868 CCRIS 3145 CHEBI:17484 CHEMBL55285 DivK1c_006780 EINECS 210-753-9 HMS1921P18 I0224 isothiocyanato-methyl-benzene isothiocyanatomethyl-benzene isothiocyanatomethylbenzene Isothiocyanic Acid Benzyl Ester Isothiocyanic acid, benzyl ester Isothiocyanotaomethylbenzene KBio1_001724 KBio2_002321 KBio2_004889 KBio2_007457 KBio3_001746 KBioGR_001358 KBioSS_002323 LS-7216 MolPort-000-147-097 NCGC00094982-01 NCGC00094982-02 NCGC00094982-03 NCGC00094982-04 NCI60_000455 NCIMech_000859 NSC 118976 NSC118796 NSC118976 phenylmethyl isothiocyanate PMITC cpd QTL1_000013 SDCCGMLS-0066697.P001 SPBio_000863 SpecPlus_000684 SPECTRUM1503006 Spectrum2_000852 Spectrum3_000793 Spectrum4_001059 Spectrum5_001837 Spectrum_001820 STK399787 TL8004089 Toluene, .alpha.-isothiocyanato- Toluene, alpha-isothiocyanato- Tromacaps Tromalyt Urogran W510548_ALDRICH WLN: SCN1R ZERO/008132 ZINC01529592 enlarge table

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