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CAS 112807-11-1 3-(ChloroMethyl)-1,2,4-thiadiazol-5-aMine molecular structure lightbox
CAS RN: 112807-11-1

3-(ChloroMethyl)-1,2,4-thiadiazol-5-aMine

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250111 1g In stock Shanghai Inquiry
Batchno.20250116 250mg In stock Shanghai Inquiry
  • Product code: SSC-013109
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 112807-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

112807-11-1 / 3-(chloromethyl)-1,2,4-thiadiazol-5-amine

3-(Chloromethyl)-1,2,4-thiadiazol-5-amine | 1,2,4-Thiadiazol-5-amine, 3-(chloromethyl)- | SCHEMBL353108

Standard CAS: 112807-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
112807-11-1
Multi CAS
No
Molecular Formula
C3H4ClN3S
Molecular Weight
149.600000
Exact Mass
148.981446
SMILES
C(C1=NSC(=N1)N)Cl
InChI
InChI=1S/C3H4ClN3S/c4-1-2-6-3(5)8-7-2/h1H2,(H2,5,6,7)
InChIKey
LXBKUXZCSXPODH-UHFFFAOYSA-N
Synonyms
3-(Chloromethyl)-1,2,4-thiadiazol-5-amine 1,2,4-Thiadiazol-5-amine, 3-(chloromethyl)- SCHEMBL353108 DTXSID30554324 LXBKUXZCSXPODH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.88
TPSA
51.8

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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