methylene bis(thiocyanate)

CHEBI:134614 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of thiocyanates that is methane in which two of the hycrogens have been replaced by thiocyanato groups. Used as a biocide for the control of various pathogens and algae in industrial water systems and as a fungicide for the control of surface moulds and sapstain fungi on wood. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:26955

Chemical structure

Computed structure properties
Molecular formula	C3H2N2S2
Charge	0
Average mass	130.197 Da
Monoisotopic mass	129.96594 Da
Source	ChEBI
InChIKey	JWZXKXIUSSIAMR-UHFFFAOYSA-N

SMILES

N#CSCSC#N

InChI

InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2

Also called

CH2(SCN)2 (EXACT_SYNONYM)— chebi
Methylenedirhodanid (EXACT_SYNONYM)— chebi
N-948 Biocide (EXACT_SYNONYM)— chebi
dithiocyanatomethane (EXACT_SYNONYM)— chebi
methylene dithiocyanate (EXACT_SYNONYM)— chebi
methylene thiocyanate (EXACT_SYNONYM)— chebi
methylenedirhodanide (EXACT_SYNONYM)— chebi
thiocyanic acid, C,C'-methylene ester (EXACT_SYNONYM)— chebi
thiocyanic acid, methylene ester (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:6317-18-6
ppdb:2905
reaxys:1743370

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

fungicide CHEBI:24127
antibacterial agent CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:134614`	methylene bis(thiocyanate)	`antibioticmech:chebi-7054e9d32f`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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