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CAS 51481-61-9 Cimetidine molecular structure lightbox
CAS RN: 51481-61-9

Cimetidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Chongqing, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-158331
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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: 25g
  • Available purity: >97%
  • 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 51481-61-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

51481-61-9 / 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

Standard CAS: 51481-61-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
51481-61-9
Multi CAS
Yes
Molecular Formula
C10H16N6S
Molecular Weight
252.340000
Exact Mass
252.115716
InChI
InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKey
AQIXAKUUQRKLND-UHFFFAOYSA-N

Physical Properties

Melting Point
284 to 290 °F (NTP, 1992) 141-143 °C 142 °C
Physical Description
Cimetidine appears as white crystals with a slight sulfur-mercaptan odor. (NTP, 1992) Solid
Appearance
Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
69.6
TPSA
88.89

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.4
Consensus LogP
0.51
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84

Drug-likeness / Medicinal Chemistry

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

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